N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine

C17H27N3 — CID 96552859

IUPACN'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
SMILESNCCN(C[C@H]1CCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H27N3/c18-9-11-20(17-6-7-17)14-16-8-10-19(13-16)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2/t16-/m0/s1
InChIKeyNQTLGKMIWNCZHI-INIZCTEOSA-N
MW273.42 g/mol
LogP1.93
Rot. Bonds7

About N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine

N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine (PubChem CID 96552859) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
PubChem CID96552859
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
SMILESNCCN(C[C@H]1CCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H27N3/c18-9-11-20(17-6-7-17)14-16-8-10-19(13-16)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2/t16-/m0/s1
InChIKeyNQTLGKMIWNCZHI-INIZCTEOSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
CID 66565012
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
benzyl 3-[[2-aminoethyl(cyclopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564376
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
5-(1-benzylpyrrolidin-3-yl)pentan-1-amine
CID 123137581
benzyl (3S)-3-[[2-aminoethyl(cyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 96552357
(3R)-1-benzyl-3-(bromomethyl)pyrrolidine
CID 96555493
1-benzyl-3-ethylpyrrolidine
CID 12648208
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473

Frequently Asked Questions

What is the IUPAC name of N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine (CID 96552859) is N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine is NCCN(C[C@H]1CCN(Cc2ccccc2)C1)C1CC1.
What is the InChIKey of N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine?
The InChIKey is NQTLGKMIWNCZHI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3/c18-9-11-20(17-6-7-17)14-16-8-10-19(13-16)12-15-4-2-1-3-5-15/h1-5,16-17H,6-14,18H2/t16-/m0/s1.
What are the key properties of N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine?
N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine has a molecular weight of 273.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 96552859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).