N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

C21H39N5O — CID 45211289

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCCN1CCCC1CN(Cc1nc[nH]c1C)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H39N5O/c1-4-26-9-5-6-20(26)15-25(16-21-18(2)22-17-23-21)14-19-7-10-24(11-8-19)12-13-27-3/h17,19-20H,4-16H2,1-3H3,(H,22,23)
InChIKeyUDYVUASOAGWRKU-UHFFFAOYSA-N
MW377.58 g/mol
LogP2.36
Rot. Bonds10

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 45211289) has the molecular formula C21H39N5O and a molecular weight of 377.58 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID45211289
Molecular FormulaC21H39N5O
Molecular Weight377.58 g/mol
Exact Mass377.32
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCCN1CCCC1CN(Cc1nc[nH]c1C)CC1CCN(CCOC)CC1
InChIInChI=1S/C21H39N5O/c1-4-26-9-5-6-20(26)15-25(16-21-18(2)22-17-23-21)14-19-7-10-24(11-8-19)12-13-27-3/h17,19-20H,4-16H2,1-3H3,(H,22,23)
InChIKeyUDYVUASOAGWRKU-UHFFFAOYSA-N
XLogP2.36
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.58
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-methoxypropyl)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinamine
CID 70764160
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
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(1S*,5R*)-3-[(4-methyl-1H-imidazol-5-yl)methyl]-6-[2-methyl-2-(4-morpholinyl)propyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133115285
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 171359864
9-(cyclobutylmethyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45175930
(3S*,4R*)-N,N-dimethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-propyl-3-pyrrolidinamine
CID 70777966
4-[(5-Methyl-1H-imidazol-4-yl)methyl]morpholine
CID 13320625
1-(2-methoxyethyl)-8-[(5-methyl-1H-imidazol-4-yl)methyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225706
3-isobutyl-1-(2-methoxyethyl)-8-[(4-methyl-1H-imidazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231528
(2R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(4-methylpentyl)morpholine
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 45211289) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is CCN1CCCC1CN(Cc1nc[nH]c1C)CC1CCN(CCOC)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The InChIKey is UDYVUASOAGWRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O/c1-4-26-9-5-6-20(26)15-25(16-21-18(2)22-17-23-21)14-19-7-10-24(11-8-19)12-13-27-3/h17,19-20H,4-16H2,1-3H3,(H,22,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine has a molecular weight of 377.58 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 45211289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).