N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine

C24H29N — CID 156786215

IUPACN-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine
SMILESCCCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C24H29N/c1-2-3-17-25(18-9-12-21-10-5-4-6-11-21)20-22-15-16-23-13-7-8-14-24(23)19-22/h4-8,10-11,13-16,19H,2-3,9,12,17-18,20H2,1H3
InChIKeyNAKYNKMYONGAHY-UHFFFAOYSA-N
MW331.50 g/mol
LogP6.07
Rot. Bonds9

About N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine

N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine (PubChem CID 156786215) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine
PubChem CID156786215
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC NameN-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine
SMILESCCCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1
InChIInChI=1S/C24H29N/c1-2-3-17-25(18-9-12-21-10-5-4-6-11-21)20-22-15-16-23-13-7-8-14-24(23)19-22/h4-8,10-11,13-16,19H,2-3,9,12,17-18,20H2,1H3
InChIKeyNAKYNKMYONGAHY-UHFFFAOYSA-N
XLogP6.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Terbinafine
CID 1549008
Cinacalcet
CID 156419
Butenafine
CID 2484
Naftifine
CID 47641
Cinacalcet Hydrochloride
CID 156418
Terbinafine Hydrochloride
CID 5282481
Xaliproden
CID 128919
Butenafine Hydrochloride
CID 443867
Naftifine Hydrochloride
CID 5281098
Xaliproden Hydrochloride
CID 128918
N-Methyl-N-naphthylmethylamine
CID 84474
9,10-dihydro-N,N-dimethyl-9-anthracenepropanamine
CID 10333104

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine?
The IUPAC name of N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine (CID 156786215) is N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine is CCCCN(CCCc1ccccc1)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine?
The InChIKey is NAKYNKMYONGAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-2-3-17-25(18-9-12-21-10-5-4-6-11-21)20-22-15-16-23-13-7-8-14-24(23)19-22/h4-8,10-11,13-16,19H,2-3,9,12,17-18,20H2,1H3.
What are the key properties of N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine?
N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine has a molecular weight of 331.50 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-N-(3-phenylpropyl)butan-1-amine is sourced from PubChem (CID 156786215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).