N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine

C15H31N3 — CID 83963211

IUPACN-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
SMILESCC(C)NCCC1CCN(CCNCC2CC2)C1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-5-15-6-9-18(12-15)10-8-16-11-14-3-4-14/h13-17H,3-12H2,1-2H3
InChIKeyDBGVBGDIKAEOPG-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.70
Rot. Bonds9

About N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine

N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine (PubChem CID 83963211) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
PubChem CID83963211
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
SMILESCC(C)NCCC1CCN(CCNCC2CC2)C1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-5-15-6-9-18(12-15)10-8-16-11-14-3-4-14/h13-17H,3-12H2,1-2H3
InChIKeyDBGVBGDIKAEOPG-UHFFFAOYSA-N
XLogP1.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
CID 83963164
N-[2-[3-[2-(methylamino)ethyl]pyrrolidin-1-yl]ethyl]propan-2-amine
CID 83963163
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231
tert-butyl N-[[1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-yl]methyl]carbamate
CID 83963126
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
(3R)-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-3-ol
CID 94895891
N-(cyclopropylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63978168
ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
CID 156795305
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-[[1-(2-methylsulfanylethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63964992

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine (CID 83963211) is N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine is CC(C)NCCC1CCN(CCNCC2CC2)C1.
What is the InChIKey of N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine?
The InChIKey is DBGVBGDIKAEOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)17-7-5-15-6-9-18(12-15)10-8-16-11-14-3-4-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine?
N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine has a molecular weight of 253.43 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine is sourced from PubChem (CID 83963211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).