2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine

C20H29N — CID 63478165

IUPAC2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-15(2)12-19(13-16(3)4)21-14-18-10-7-9-17-8-5-6-11-20(17)18/h5-11,15-16,19,21H,12-14H2,1-4H3
InChIKeyMBAMMNMCOLXNFF-UHFFFAOYSA-N
MW283.46 g/mol
LogP5.39
Rot. Bonds7

About 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine

2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine (PubChem CID 63478165) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
PubChem CID63478165
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine
SMILESCC(C)CC(CC(C)C)NCc1cccc2ccccc12
InChIInChI=1S/C20H29N/c1-15(2)12-19(13-16(3)4)21-14-18-10-7-9-17-8-5-6-11-20(17)18/h5-11,15-16,19,21H,12-14H2,1-4H3
InChIKeyMBAMMNMCOLXNFF-UHFFFAOYSA-N
XLogP5.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 57250877
N-(naphthalen-1-ylmethyl)octan-4-amine
CID 106023258
2-chloro-3-[(2,6-dimethylheptan-4-ylamino)methyl]phenol
CID 154877800
N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
CID 114300915
1-ethoxy-3-methyl-N-(naphthalen-1-ylmethyl)butan-2-amine
CID 107329660
N-[[2-(ethoxymethyl)phenyl]methyl]-2,6-dimethylheptan-4-amine
CID 63448148
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine?
The IUPAC name of 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine (CID 63478165) is 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine is CC(C)CC(CC(C)C)NCc1cccc2ccccc12.
What is the InChIKey of 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine?
The InChIKey is MBAMMNMCOLXNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-15(2)12-19(13-16(3)4)21-14-18-10-7-9-17-8-5-6-11-20(17)18/h5-11,15-16,19,21H,12-14H2,1-4H3.
What are the key properties of 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine?
2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine has a molecular weight of 283.46 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(naphthalen-1-ylmethyl)heptan-4-amine is sourced from PubChem (CID 63478165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).