1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine

C17H24N2 — CID 115199467

IUPAC1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
SMILESCc1ccc2cc(CN(C)CCC(C)N)ccc2c1
InChIInChI=1S/C17H24N2/c1-13-4-6-17-11-15(5-7-16(17)10-13)12-19(3)9-8-14(2)18/h4-7,10-11,14H,8-9,12,18H2,1-3H3
InChIKeyQFCYZGDFJASNMI-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.32
Rot. Bonds5

About 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine

1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine (PubChem CID 115199467) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
PubChem CID115199467
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
SMILESCc1ccc2cc(CN(C)CCC(C)N)ccc2c1
InChIInChI=1S/C17H24N2/c1-13-4-6-17-11-15(5-7-16(17)10-13)12-19(3)9-8-14(2)18/h4-7,10-11,14H,8-9,12,18H2,1-3H3
InChIKeyQFCYZGDFJASNMI-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(naphthalen-2-ylmethyl)butane-1,3-diamine
CID 115199470
(2R)-4-(6-methylnaphthalen-2-yl)butan-2-amine
CID 163572884
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
1-N-methyl-1-N-[[4-(2-methylpropyl)phenyl]methyl]butane-1,3-diamine
CID 115199389
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
1-N-methyl-1-N-[(4-propan-2-ylsulfanylphenyl)methyl]butane-1,3-diamine
CID 115199439
2-chloro-N-methyl-N-[(6-methylnaphthalen-2-yl)methyl]acetamide
CID 115162099
1-N-(1,3-benzoxazol-6-ylmethyl)-1-N-methylbutane-1,3-diamine
CID 115199442
methyl-[(6-methylnaphthalen-2-yl)methyl]cyanamide
CID 117043418
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine (CID 115199467) is 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine is Cc1ccc2cc(CN(C)CCC(C)N)ccc2c1.
What is the InChIKey of 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine?
The InChIKey is QFCYZGDFJASNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13-4-6-17-11-15(5-7-16(17)10-13)12-19(3)9-8-14(2)18/h4-7,10-11,14H,8-9,12,18H2,1-3H3.
What are the key properties of 1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine?
1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 3.32, 5 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-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine is sourced from PubChem (CID 115199467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).