N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine

C18H35N3 — CID 83963231

IUPACN-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
SMILESC1CCC(CNCCN2CCC(CCNC3CC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-2-4-16(5-3-1)14-19-11-13-21-12-9-17(15-21)8-10-20-18-6-7-18/h16-20H,1-15H2
InChIKeyJFAVVQWBRYXNFF-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.62
Rot. Bonds9

About N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine

N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine (PubChem CID 83963231) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
PubChem CID83963231
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
SMILESC1CCC(CNCCN2CCC(CCNC3CC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-2-4-16(5-3-1)14-19-11-13-21-12-9-17(15-21)8-10-20-18-6-7-18/h16-20H,1-15H2
InChIKeyJFAVVQWBRYXNFF-UHFFFAOYSA-N
XLogP2.62
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.62
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

N-[2-[3-[2-(cyclopropylamino)ethyl]pyrrolidin-1-yl]ethyl]cyclobutanamine
CID 83963223
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196
2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
CID 83963164
N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
CID 83963211
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62561801
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclooctanamine
CID 115717422

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine (CID 83963231) is N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine is C1CCC(CNCCN2CCC(CCNC3CC3)C2)CC1.
What is the InChIKey of N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine?
The InChIKey is JFAVVQWBRYXNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-4-16(5-3-1)14-19-11-13-21-12-9-17(15-21)8-10-20-18-6-7-18/h16-20H,1-15H2.
What are the key properties of N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine?
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine has a molecular weight of 293.50 g/mol, XLogP of 2.62, 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-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 83963231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).