N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C20H31N — CID 63463227

IUPACN-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(CCNC1CCC2CCCCC2C1)c1ccccc1
InChIInChI=1S/C20H31N/c1-16(17-7-3-2-4-8-17)13-14-21-20-12-11-18-9-5-6-10-19(18)15-20/h2-4,7-8,16,18-21H,5-6,9-15H2,1H3
InChIKeyBXGLFJLKOIIQRM-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.13
Rot. Bonds5

About N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 63463227) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID63463227
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC(CCNC1CCC2CCCCC2C1)c1ccccc1
InChIInChI=1S/C20H31N/c1-16(17-7-3-2-4-8-17)13-14-21-20-12-11-18-9-5-6-10-19(18)15-20/h2-4,7-8,16,18-21H,5-6,9-15H2,1H3
InChIKeyBXGLFJLKOIIQRM-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

1-N-(3-phenylbutyl)cyclobutane-1,3-diamine
CID 80562292
N-(2-phenylethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222656
N-(3-phenylbutyl)thian-3-amine
CID 62988894
(1S)-N-(3,3-diphenylpropyl)-3-methylcyclopentan-1-amine
CID 71032236
N-[(1R)-1-cyclohexylethyl]-3-phenylbutan-1-amine
CID 81384381
1,5-dimethyl-N-(3-phenylbutyl)pyrrolidin-3-amine
CID 81333598
1,1-dioxo-N-(3-phenylbutyl)thian-3-amine
CID 63922445
3-(4-methoxyphenyl)-N-(3-phenylbutyl)cyclohexan-1-amine
CID 139827959
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pentan-2-ol
CID 107270410
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 63463227) is N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC(CCNC1CCC2CCCCC2C1)c1ccccc1.
What is the InChIKey of N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is BXGLFJLKOIIQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16(17-7-3-2-4-8-17)13-14-21-20-12-11-18-9-5-6-10-19(18)15-20/h2-4,7-8,16,18-21H,5-6,9-15H2,1H3.
What are the key properties of N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 285.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 63463227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).