1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine

C16H22N2O — CID 115199231

IUPAC1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
SMILESCOc1ccc2cc(N(C)CCC(C)N)ccc2c1
InChIInChI=1S/C16H22N2O/c1-12(17)8-9-18(2)15-6-4-14-11-16(19-3)7-5-13(14)10-15/h4-7,10-12H,8-9,17H2,1-3H3
InChIKeyOESFEOFKHNFWPN-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.02
Rot. Bonds5

About 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine

1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine (PubChem CID 115199231) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
PubChem CID115199231
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine
SMILESCOc1ccc2cc(N(C)CCC(C)N)ccc2c1
InChIInChI=1S/C16H22N2O/c1-12(17)8-9-18(2)15-6-4-14-11-16(19-3)7-5-13(14)10-15/h4-7,10-12H,8-9,17H2,1-3H3
InChIKeyOESFEOFKHNFWPN-UHFFFAOYSA-N
XLogP3.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-naphthalen-2-ylbutane-1,3-diamine
CID 115199230
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
[(6-methoxynaphthalen-2-yl)-methylamino]methanethiol
CID 115227861
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
1-N-(4-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 115199107
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
CID 60588106
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
N'-(4-methoxyphenyl)-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630979

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine (CID 115199231) is 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine is COc1ccc2cc(N(C)CCC(C)N)ccc2c1.
What is the InChIKey of 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine?
The InChIKey is OESFEOFKHNFWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(17)8-9-18(2)15-6-4-14-11-16(19-3)7-5-13(14)10-15/h4-7,10-12H,8-9,17H2,1-3H3.
What are the key properties of 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine?
1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine has a molecular weight of 258.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-methoxynaphthalen-2-yl)-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 115199231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).