1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine

C14H20N2 — CID 11171961

IUPAC1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
SMILESNC1([C@@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C14H20N2/c15-14(7-8-14)13-6-9-16(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2/t13-/m1/s1
InChIKeyCVIWGPQILYTQHX-CYBMUJFWSA-N
MW216.33 g/mol
LogP2.00
Rot. Bonds3

About 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine

1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine (PubChem CID 11171961) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
PubChem CID11171961
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
SMILESNC1([C@@H]2CCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C14H20N2/c15-14(7-8-14)13-6-9-16(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2/t13-/m1/s1
InChIKeyCVIWGPQILYTQHX-CYBMUJFWSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylazepan-4-yl)cyclopropan-1-amine
CID 83912862
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82658680
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
9-(1-benzylpyrrolidin-3-yl)fluoren-9-ol
CID 122392287
(4aS,8aR)-2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 40562487
2-benzyl-4a-chloro-1,3,4,5,6,7,8,8a-octahydroisoquinoline
CID 3396845
CID 58171508
CID 58171508
2-benzyl-5a-phenyl-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepine
CID 21330535
3-benzyl-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 176801204
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine (CID 11171961) is 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine is NC1([C@@H]2CCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine?
The InChIKey is CVIWGPQILYTQHX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2/c15-14(7-8-14)13-6-9-16(11-13)10-12-4-2-1-3-5-12/h1-5,13H,6-11,15H2/t13-/m1/s1.
What are the key properties of 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine?
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 11171961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).