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

C17H38N2 — CID 107869505

IUPAC3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine
SMILESCCCC(C)C(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H38N2/c1-7-8-16(6)17(13-18)19(11-9-14(2)3)12-10-15(4)5/h14-17H,7-13,18H2,1-6H3
InChIKeyABXOJNWFMHFVBE-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.14
Rot. Bonds11

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

3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine (PubChem CID 107869505) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine
PubChem CID107869505
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine
SMILESCCCC(C)C(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H38N2/c1-7-8-16(6)17(13-18)19(11-9-14(2)3)12-10-15(4)5/h14-17H,7-13,18H2,1-6H3
InChIKeyABXOJNWFMHFVBE-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine
CID 107871349
2-N-ethyl-3-methyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 43312489
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
ethanamine;2-methylpentane
CID 143240474
3-ethyl-2-N-methyl-2-N-(3-methylbutyl)pentane-1,2-diamine
CID 61425759
4-methyl-3-propan-2-yl-2-N,2-N-dipropylpentane-1,2-diamine
CID 114281886
4-methoxy-2-N,3-dimethyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 116501663
3-methyl-2-propylhexan-1-amine
CID 89026240
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195
3-methyl-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 114998356

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine?
The IUPAC name of 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine (CID 107869505) is 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine is CCCC(C)C(CN)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine?
The InChIKey is ABXOJNWFMHFVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-7-8-16(6)17(13-18)19(11-9-14(2)3)12-10-15(4)5/h14-17H,7-13,18H2,1-6H3.
What are the key properties of 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine?
3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine is sourced from PubChem (CID 107869505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).