7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine

C20H29N — CID 28528182

IUPAC7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
SMILESCC(C)CCCCCCNCc1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-17(2)10-5-3-4-8-15-21-16-19-13-9-12-18-11-6-7-14-20(18)19/h6-7,9,11-14,17,21H,3-5,8,10,15-16H2,1-2H3
InChIKeyXKCXRYHROXCCFN-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.54
Rot. Bonds9

About 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine

7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine (PubChem CID 28528182) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine.

Molecular Properties

Compound Name7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
PubChem CID28528182
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
SMILESCC(C)CCCCCCNCc1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-17(2)10-5-3-4-8-15-21-16-19-13-9-12-18-11-6-7-14-20(18)19/h6-7,9,11-14,17,21H,3-5,8,10,15-16H2,1-2H3
InChIKeyXKCXRYHROXCCFN-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647
N-(isoquinolin-4-ylmethyl)-5-methylhexan-1-amine
CID 115748477
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
N-(naphthalen-1-ylmethyl)decan-1-amine;hydrochloride
CID 118513338
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
2-[(4-methylpentylamino)methyl]phenol
CID 61044240

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine?
The IUPAC name of 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine (CID 28528182) is 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine.
What is the SMILES notation for 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine?
The canonical SMILES for 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine is CC(C)CCCCCCNCc1cccc2ccccc12.
What is the InChIKey of 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine?
The InChIKey is XKCXRYHROXCCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-17(2)10-5-3-4-8-15-21-16-19-13-9-12-18-11-6-7-14-20(18)19/h6-7,9,11-14,17,21H,3-5,8,10,15-16H2,1-2H3.
What are the key properties of 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine?
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine is sourced from PubChem (CID 28528182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).