N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine

C14H27N3O — CID 55159927

IUPACN-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
SMILESC(CN1CCC(N2CCOCC2)C1)NCC1CC1
InChIInChI=1S/C14H27N3O/c1-2-13(1)11-15-4-6-16-5-3-14(12-16)17-7-9-18-10-8-17/h13-15H,1-12H2
InChIKeyNAFQKRWORAVTON-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.39
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine

N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine (PubChem CID 55159927) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
PubChem CID55159927
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
SMILESC(CN1CCC(N2CCOCC2)C1)NCC1CC1
InChIInChI=1S/C14H27N3O/c1-2-13(1)11-15-4-6-16-5-3-14(12-16)17-7-9-18-10-8-17/h13-15H,1-12H2
InChIKeyNAFQKRWORAVTON-UHFFFAOYSA-N
XLogP0.39
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',N'-dimethyl-N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)ethyl]ethane-1,2-diamine
CID 63168286
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)ethyl]pentan-3-amine
CID 63167334
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62561801
4-[1-(2-azidoethyl)pyrrolidin-3-yl]morpholine
CID 63171226
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
2-(cyclopropylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791909
2-(ethylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791294
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
2-(4-methylpiperazin-1-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386351
N-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070551

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine (CID 55159927) is N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine is C(CN1CCC(N2CCOCC2)C1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
The InChIKey is NAFQKRWORAVTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-13(1)11-15-4-6-16-5-3-14(12-16)17-7-9-18-10-8-17/h13-15H,1-12H2.
What are the key properties of N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine?
N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 55159927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).