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

C21H39N5O — CID 30723045

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCCN1CCC[C@H]1CN(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)/t20-/m0/s1
InChIKeyUDYVUASOAGWRKU-FQEVSTJZSA-N
MW377.58 g/mol
LogP2.36
Rot. Bonds10

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

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 30723045) has the molecular formula C21H39N5O and a molecular weight of 377.58 g/mol. Its IUPAC name is N-[[(2S)-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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID30723045
Molecular FormulaC21H39N5O
Molecular Weight377.58 g/mol
Exact Mass377.32
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCCN1CCC[C@H]1CN(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)/t20-/m0/s1
InChIKeyUDYVUASOAGWRKU-FQEVSTJZSA-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
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CID 133115285
4-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-9-(1H-imidazol-5-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
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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
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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 30723045) is N-[[(2S)-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-[[(2S)-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-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is CCN1CCC[C@H]1CN(Cc1nc[nH]c1C)CC1CCN(CCOC)CC1.
What is the InChIKey of N-[[(2S)-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-FQEVSTJZSA-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)/t20-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
N-[[(2S)-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-[[(2S)-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 30723045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).