3-methyl-1-naphthalen-2-ylbutane-1,3-diamine

C15H20N2 — CID 116933649

IUPAC3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
SMILESCC(C)(N)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2/c1-15(2,17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10,16-17H2,1-2H3
InChIKeyHKQWWVHSMLIUEB-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.97
Rot. Bonds3

About 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine

3-methyl-1-naphthalen-2-ylbutane-1,3-diamine (PubChem CID 116933649) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
PubChem CID116933649
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
SMILESCC(C)(N)CC(N)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2/c1-15(2,17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10,16-17H2,1-2H3
InChIKeyHKQWWVHSMLIUEB-UHFFFAOYSA-N
XLogP2.97
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-trimethyl-4-naphthalen-2-ylhexan-2-amine
CID 123529640
3-methoxy-3-methyl-1-naphthalen-2-ylbutan-1-amine
CID 103025801
(1S)-1-naphthalen-2-ylbutan-1-amine
CID 55254735
(1R)-1-naphthalen-2-ylpentan-1-amine
CID 171201313
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275
2-amino-2-naphthalen-2-ylethanesulfonic acid;ethane
CID 142982277
3-methylsulfonyl-1-naphthalen-2-ylpropan-1-amine
CID 62716916
1-naphthalen-2-ylethanamine
CID 3857145
1-(4-fluoro-3-methylphenyl)-3-methylbutane-1,3-diamine
CID 116933519
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine?
The IUPAC name of 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine (CID 116933649) is 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine is CC(C)(N)CC(N)c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine?
The InChIKey is HKQWWVHSMLIUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-15(2,17)10-14(16)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14H,10,16-17H2,1-2H3.
What are the key properties of 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine?
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine has a molecular weight of 228.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-naphthalen-2-ylbutane-1,3-diamine is sourced from PubChem (CID 116933649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).