N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine

C19H30N2 — CID 79540760

IUPACN-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(CC1CCCCCN1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H30N2/c1-15(14-17-10-3-2-6-13-20-17)21-19-12-7-9-16-8-4-5-11-18(16)19/h7,9,12,15,17,20-21H,2-6,8,10-11,13-14H2,1H3
InChIKeyVEIJTMBFHYZATP-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine

N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 79540760) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID79540760
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCC(CC1CCCCCN1)Nc1cccc2c1CCCC2
InChIInChI=1S/C19H30N2/c1-15(14-17-10-3-2-6-13-20-17)21-19-12-7-9-16-8-4-5-11-18(16)19/h7,9,12,15,17,20-21H,2-6,8,10-11,13-14H2,1H3
InChIKeyVEIJTMBFHYZATP-UHFFFAOYSA-N
XLogP4.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79548792
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile
CID 107803271
N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
N-(1-piperidin-2-ylpropan-2-yl)quinolin-8-amine
CID 79549224
4-[1-(azepan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 79541323
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
2-methyl-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539824

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine (CID 79540760) is N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine is CC(CC1CCCCCN1)Nc1cccc2c1CCCC2.
What is the InChIKey of N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is VEIJTMBFHYZATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(14-17-10-3-2-6-13-20-17)21-19-12-7-9-16-8-4-5-11-18(16)19/h7,9,12,15,17,20-21H,2-6,8,10-11,13-14H2,1H3.
What are the key properties of N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine?
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 286.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79540760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).