N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine

C21H26N2 — CID 10804615

IUPACN-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine
SMILESc1ccc2cc(CN3CC[C@H](N=C4CCCCC4)C3)ccc2c1
InChIInChI=1S/C21H26N2/c1-2-8-20(9-3-1)22-21-12-13-23(16-21)15-17-10-11-18-6-4-5-7-19(18)14-17/h4-7,10-11,14,21H,1-3,8-9,12-13,15-16H2/t21-/m0/s1
InChIKeyPJUMFEPIGFZNBI-NRFANRHFSA-N
MW306.45 g/mol
LogP4.82
Rot. Bonds3

About N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine

N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine (PubChem CID 10804615) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine.

Molecular Properties

Compound NameN-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine
PubChem CID10804615
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine
SMILESc1ccc2cc(CN3CC[C@H](N=C4CCCCC4)C3)ccc2c1
InChIInChI=1S/C21H26N2/c1-2-8-20(9-3-1)22-21-12-13-23(16-21)15-17-10-11-18-6-4-5-7-19(18)14-17/h4-7,10-11,14,21H,1-3,8-9,12-13,15-16H2/t21-/m0/s1
InChIKeyPJUMFEPIGFZNBI-NRFANRHFSA-N
XLogP4.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630094
4-methyl-1-(naphthalen-2-ylmethyl)piperidine
CID 15153361
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
[(3S,4S)-1-(naphthalen-2-ylmethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 133112262
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728409
1-benzyl-3-(2-naphthalen-2-ylethyl)pyrrolidine
CID 71090508
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-phenylmethanone
CID 19771944
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
lithium benzhydryl-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]azanide
CID 100956444
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]hexanoic acid;dihydrochloride
CID 142749256
5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 171352035

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine?
The IUPAC name of N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine (CID 10804615) is N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine.
What is the SMILES notation for N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine?
The canonical SMILES for N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine is c1ccc2cc(CN3CC[C@H](N=C4CCCCC4)C3)ccc2c1.
What is the InChIKey of N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine?
The InChIKey is PJUMFEPIGFZNBI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-8-20(9-3-1)22-21-12-13-23(16-21)15-17-10-11-18-6-4-5-7-19(18)14-17/h4-7,10-11,14,21H,1-3,8-9,12-13,15-16H2/t21-/m0/s1.
What are the key properties of N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine?
N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine has a molecular weight of 306.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine is sourced from PubChem (CID 10804615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).