N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine

C16H21N — CID 62716736

IUPACN,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
SMILESCNC(CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-12(2)11-16(17-3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16-17H,11H2,1-3H3
InChIKeyQGFCFBXRXVTHFU-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.15
Rot. Bonds4

About N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine

N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine (PubChem CID 62716736) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
PubChem CID62716736
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
SMILESCNC(CC(C)C)c1cccc2ccccc12
InChIInChI=1S/C16H21N/c1-12(2)11-16(17-3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16-17H,11H2,1-3H3
InChIKeyQGFCFBXRXVTHFU-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 82923409
N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
1-(1,2-dihydroacenaphthylen-5-yl)-N,3-dimethylbutan-1-amine
CID 114939296
(3-methyl-1-naphthalen-1-ylbutyl)azanium chloride
CID 121438347
2-methyl-3-[2-(methylamino)-2-naphthalen-1-ylethyl]sulfanylpropan-1-ol
CID 66102804
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371
N,4-dimethyl-1-naphthalen-1-ylpent-4-en-1-amine
CID 114474538
3-ethoxy-N-methyl-1-naphthalen-1-ylpropan-1-amine
CID 112688299

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine?
The IUPAC name of N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine (CID 62716736) is N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine?
The canonical SMILES for N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine is CNC(CC(C)C)c1cccc2ccccc12.
What is the InChIKey of N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine?
The InChIKey is QGFCFBXRXVTHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-12(2)11-16(17-3)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12,16-17H,11H2,1-3H3.
What are the key properties of N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine?
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine is sourced from PubChem (CID 62716736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).