4-methyl-1-naphthalen-1-ylcycloheptan-1-amine

C18H23N — CID 65081240

IUPAC4-methyl-1-naphthalen-1-ylcycloheptan-1-amine
SMILESCC1CCCC(N)(c2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N/c1-14-6-5-12-18(19,13-11-14)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,7-10,14H,5-6,11-13,19H2,1H3
InChIKeyRABWOZVRZMHZHP-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.59
Rot. Bonds1

About 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine

4-methyl-1-naphthalen-1-ylcycloheptan-1-amine (PubChem CID 65081240) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-1-naphthalen-1-ylcycloheptan-1-amine
PubChem CID65081240
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-methyl-1-naphthalen-1-ylcycloheptan-1-amine
SMILESCC1CCCC(N)(c2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N/c1-14-6-5-12-18(19,13-11-14)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,7-10,14H,5-6,11-13,19H2,1H3
InChIKeyRABWOZVRZMHZHP-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-isoquinolin-5-yl-4-methylcycloheptan-1-amine
CID 65080207
1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
CID 55119185
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
4-methyl-1-(naphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63407888
1-(2,3-dichlorophenyl)-4-methylcyclohexan-1-amine
CID 62788342
1-(2-methoxyphenyl)-4-methylcyclohexan-1-amine
CID 60793795
1-(2,3-difluoro-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 107512504
2-tert-butyl-1-naphthalen-1-ylcyclohexan-1-amine
CID 63407963
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
CID 61029803
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine?
The IUPAC name of 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine (CID 65081240) is 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine.
What is the SMILES notation for 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine?
The canonical SMILES for 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine is CC1CCCC(N)(c2cccc3ccccc23)CC1.
What is the InChIKey of 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine?
The InChIKey is RABWOZVRZMHZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-14-6-5-12-18(19,13-11-14)17-10-4-8-15-7-2-3-9-16(15)17/h2-4,7-10,14H,5-6,11-13,19H2,1H3.
What are the key properties of 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine?
4-methyl-1-naphthalen-1-ylcycloheptan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-naphthalen-1-ylcycloheptan-1-amine is sourced from PubChem (CID 65081240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).