(1R)-N,N-dibenzylcyclohept-2-en-1-amine

C21H25N — CID 139091236

IUPAC(1R)-N,N-dibenzylcyclohept-2-en-1-amine
SMILESC1=C[C@H](N(Cc2ccccc2)Cc2ccccc2)CCCC1
InChIInChI=1S/C21H25N/c1-2-10-16-21(15-9-1)22(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-9,11-15,21H,1-2,10,16-18H2/t21-/m0/s1
InChIKeyIOQHHGRGWAVGEP-NRFANRHFSA-N
MW291.44 g/mol
LogP5.19
Rot. Bonds5

About (1R)-N,N-dibenzylcyclohept-2-en-1-amine

(1R)-N,N-dibenzylcyclohept-2-en-1-amine (PubChem CID 139091236) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is (1R)-N,N-dibenzylcyclohept-2-en-1-amine.

Molecular Properties

Compound Name(1R)-N,N-dibenzylcyclohept-2-en-1-amine
PubChem CID139091236
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name(1R)-N,N-dibenzylcyclohept-2-en-1-amine
SMILESC1=C[C@H](N(Cc2ccccc2)Cc2ccccc2)CCCC1
InChIInChI=1S/C21H25N/c1-2-10-16-21(15-9-1)22(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-9,11-15,21H,1-2,10,16-18H2/t21-/m0/s1
InChIKeyIOQHHGRGWAVGEP-NRFANRHFSA-N
XLogP5.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
4-[benzyl(cyclohex-2-en-1-yl)amino]-2-methylidenebutanenitrile
CID 10563715
N,N-dibenzylcyclobutanamine
CID 70822586
N-benzyl-2-chloro-N-cyclohex-2-en-1-ylacetamide
CID 11065293
3-phenylmethoxycycloheptene
CID 12512694
N'-benzyl-N'-cyclopent-2-en-1-yl-N-phenylethane-1,2-diamine
CID 101487462
N-benzyl-2-bromo-N-cyclohex-2-en-1-ylacetamide
CID 10870546
(3R)-3-(2-phenylethyl)cycloheptene
CID 102587437
N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
lithium;N-benzyl-N-ethylcyclobut-2-en-1-amine;hydride
CID 174874760
[azidosulfonyl(cyclohex-2-en-1-yl)amino]methylbenzene
CID 164511134
cyclohex-2-en-1-ylsulfanylmethylbenzene
CID 13380558

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dibenzylcyclohept-2-en-1-amine?
The IUPAC name of (1R)-N,N-dibenzylcyclohept-2-en-1-amine (CID 139091236) is (1R)-N,N-dibenzylcyclohept-2-en-1-amine.
What is the SMILES notation for (1R)-N,N-dibenzylcyclohept-2-en-1-amine?
The canonical SMILES for (1R)-N,N-dibenzylcyclohept-2-en-1-amine is C1=C[C@H](N(Cc2ccccc2)Cc2ccccc2)CCCC1.
What is the InChIKey of (1R)-N,N-dibenzylcyclohept-2-en-1-amine?
The InChIKey is IOQHHGRGWAVGEP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25N/c1-2-10-16-21(15-9-1)22(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-9,11-15,21H,1-2,10,16-18H2/t21-/m0/s1.
What are the key properties of (1R)-N,N-dibenzylcyclohept-2-en-1-amine?
(1R)-N,N-dibenzylcyclohept-2-en-1-amine has a molecular weight of 291.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dibenzylcyclohept-2-en-1-amine is sourced from PubChem (CID 139091236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).