2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine

C15H34N2 — CID 107871349

IUPAC2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine
SMILESCC(C)CCN(CCC(C)C)C(C)C(C)CN
InChIInChI=1S/C15H34N2/c1-12(2)7-9-17(10-8-13(3)4)15(6)14(5)11-16/h12-15H,7-11,16H2,1-6H3
InChIKeyXFTCWCFWUZNALT-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.36
Rot. Bonds9

About 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine

2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine (PubChem CID 107871349) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine
PubChem CID107871349
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine
SMILESCC(C)CCN(CCC(C)C)C(C)C(C)CN
InChIInChI=1S/C15H34N2/c1-12(2)7-9-17(10-8-13(3)4)15(6)14(5)11-16/h12-15H,7-11,16H2,1-6H3
InChIKeyXFTCWCFWUZNALT-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine
CID 107869505
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
1-amino-4-[2-methylpropyl(propan-2-yl)amino]butan-2-ol
CID 64820020
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
2-[bis(3-methylbutyl)amino]propanethioamide
CID 107869869
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819
N',2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080701
1-(4-bromo-5-methylthiophen-2-yl)-N,N-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869560
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663
3-[bis(3-methylbutyl)amino]butanehydrazide
CID 114011284

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine?
The IUPAC name of 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine (CID 107871349) is 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine?
The canonical SMILES for 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine is CC(C)CCN(CCC(C)C)C(C)C(C)CN.
What is the InChIKey of 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine?
The InChIKey is XFTCWCFWUZNALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-12(2)7-9-17(10-8-13(3)4)15(6)14(5)11-16/h12-15H,7-11,16H2,1-6H3.
What are the key properties of 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine?
2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine is sourced from PubChem (CID 107871349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).