cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine

C17H21N3 — CID 99828152

IUPACcis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine
SMILESc1ccc(C[C@@H]2CC[C@H](NCc3cncnc3)C2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-14(5-3-1)8-15-6-7-17(9-15)20-12-16-10-18-13-19-11-16/h1-5,10-11,13,15,17,20H,6-9,12H2/t15-,17-/m0/s1
InChIKeyNBKRKJWEXWJOPV-RDJZCZTQSA-N
MW267.38 g/mol
LogP2.98
Rot. Bonds5

About cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine

cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine (PubChem CID 99828152) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine
PubChem CID99828152
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Namecis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine
SMILESc1ccc(C[C@@H]2CC[C@H](NCc3cncnc3)C2)cc1
InChIInChI=1S/C17H21N3/c1-2-4-14(5-3-1)8-15-6-7-17(9-15)20-12-16-10-18-13-19-11-16/h1-5,10-11,13,15,17,20H,6-9,12H2/t15-,17-/m0/s1
InChIKeyNBKRKJWEXWJOPV-RDJZCZTQSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dibenzylcyclopentan-1-amine
CID 123575298
cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol
CID 130735711
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 62758802
1-[[(3-benzylcyclopentyl)amino]methyl]cyclopentan-1-ol
CID 154840849
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
2-methyl-N-(pyrimidin-5-ylmethyl)oxan-4-amine
CID 103887825
[1-[[(1R,3S)-3-benzylcyclopentyl]amino]cyclopropyl]methanol
CID 99825740
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
N-propyl-3-(pyridin-3-ylmethyl)cycloheptan-1-amine
CID 104737007
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
CID 104811972
(2R)-2-[(3-benzylcyclopentyl)amino]-3-phenylpropanoic acid
CID 122037860
1,3-dibenzylcyclooctane
CID 3045388

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine?
The IUPAC name of cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine (CID 99828152) is cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine is c1ccc(C[C@@H]2CC[C@H](NCc3cncnc3)C2)cc1.
What is the InChIKey of cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine?
The InChIKey is NBKRKJWEXWJOPV-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-4-14(5-3-1)8-15-6-7-17(9-15)20-12-16-10-18-13-19-11-16/h1-5,10-11,13,15,17,20H,6-9,12H2/t15-,17-/m0/s1.
What are the key properties of cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine?
cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 99828152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).