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

C16H22N2 — CID 117040314

IUPAC3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine
SMILESCc1ccc2cc(N(C)C(C)CCN)ccc2c1
InChIInChI=1S/C16H22N2/c1-12-4-5-15-11-16(7-6-14(15)10-12)18(3)13(2)8-9-17/h4-7,10-11,13H,8-9,17H2,1-3H3
InChIKeyGMPRPOBWMQWUTQ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.32
Rot. Bonds4

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

3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine (PubChem CID 117040314) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine
PubChem CID117040314
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine
SMILESCc1ccc2cc(N(C)C(C)CCN)ccc2c1
InChIInChI=1S/C16H22N2/c1-12-4-5-15-11-16(7-6-14(15)10-12)18(3)13(2)8-9-17/h4-7,10-11,13H,8-9,17H2,1-3H3
InChIKeyGMPRPOBWMQWUTQ-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-chlorophenyl)-3-N-methylbutane-1,3-diamine
CID 82113445
3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine
CID 63225571
2,6-dimethylnaphthalene;propane
CID 142191183
4-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylaniline
CID 62134512
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
1-(aminomethyl)-N-methyl-N-(6-methylnaphthalen-2-yl)cyclopropane-1-carboxamide
CID 115182653
2-N-(3,4-dimethylphenyl)-2-N-methylpropane-1,2-diamine
CID 55263892
1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
CID 62910764
3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine
CID 63225623
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
2-(ethylamino)-N-methyl-N-(6-methylnaphthalen-2-yl)acetamide
CID 115157845
1-N-methyl-1-N-[(6-methylnaphthalen-2-yl)methyl]butane-1,3-diamine
CID 115199467

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine (CID 117040314) is 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine is Cc1ccc2cc(N(C)C(C)CCN)ccc2c1.
What is the InChIKey of 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine?
The InChIKey is GMPRPOBWMQWUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12-4-5-15-11-16(7-6-14(15)10-12)18(3)13(2)8-9-17/h4-7,10-11,13H,8-9,17H2,1-3H3.
What are the key properties of 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine?
3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(6-methylnaphthalen-2-yl)butane-1,3-diamine is sourced from PubChem (CID 117040314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).