1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine

C17H27N3 — CID 156595341

IUPAC1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine
SMILESNC1CCN(C2CCC(NCc3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c18-15-10-11-20(13-15)17-8-6-16(7-9-17)19-12-14-4-2-1-3-5-14/h1-5,15-17,19H,6-13,18H2
InChIKeyPJXLMSAAUIVERV-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.12
Rot. Bonds4

About 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine

1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine (PubChem CID 156595341) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine
PubChem CID156595341
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine
SMILESNC1CCN(C2CCC(NCc3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c18-15-10-11-20(13-15)17-8-6-16(7-9-17)19-12-14-4-2-1-3-5-14/h1-5,15-17,19H,6-13,18H2
InChIKeyPJXLMSAAUIVERV-UHFFFAOYSA-N
XLogP2.12
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine
CID 90395375
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
benzyl 4-[(3S)-3-aminopyrrolidin-1-yl]piperidine-1-carboxylate
CID 124666366
4-N-benzylcyclohexane-1,4-diamine;formic acid
CID 143890490
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
1-cyclopropyl-N-[(4-iodophenyl)methyl]pyrrolidin-3-amine
CID 65477786
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 45250257
benzene;N-benzylcyclohexanamine
CID 142622843
N-methyl-1-phenylmethanamine;1-methylpyrrolidin-3-amine
CID 91098834

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine?
The IUPAC name of 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine (CID 156595341) is 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine is NC1CCN(C2CCC(NCc3ccccc3)CC2)C1.
What is the InChIKey of 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine?
The InChIKey is PJXLMSAAUIVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c18-15-10-11-20(13-15)17-8-6-16(7-9-17)19-12-14-4-2-1-3-5-14/h1-5,15-17,19H,6-13,18H2.
What are the key properties of 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine?
1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine has a molecular weight of 273.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine is sourced from PubChem (CID 156595341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).