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

C15H20N2 — CID 115199230

IUPAC1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
SMILESCC(N)CCN(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2/c1-12(16)9-10-17(2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10,16H2,1-2H3
InChIKeyQQGNXRZZTZCSFG-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.01
Rot. Bonds4

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

1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine (PubChem CID 115199230) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
PubChem CID115199230
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
SMILESCC(N)CCN(C)c1ccc2ccccc2c1
InChIInChI=1S/C15H20N2/c1-12(16)9-10-17(2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10,16H2,1-2H3
InChIKeyQQGNXRZZTZCSFG-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
CID 115199231
1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
1-N-methyl-1-N-(4-methylsulfanylphenyl)butane-1,3-diamine
CID 115199187
N-butyl-N-methylnaphthalen-2-amine;ethane;propanal
CID 142122324
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
6-[3-aminobutyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115199203
1-N-(3-bromophenyl)-1-N-methylpentane-1,4-diamine
CID 115203761
1-N-methyl-1-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 115197005
4-[2-[methyl(naphthalen-2-yl)amino]ethoxy]benzenesulfonamide
CID 34696726

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine (CID 115199230) is 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine is CC(N)CCN(C)c1ccc2ccccc2c1.
What is the InChIKey of 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine?
The InChIKey is QQGNXRZZTZCSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-12(16)9-10-17(2)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12H,9-10,16H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine?
1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine has a molecular weight of 228.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine is sourced from PubChem (CID 115199230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).