N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine

C14H32N2 — CID 65296383

IUPACN',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine
SMILESCCC(C)CN(C)CCCC(C)(C)CCN
InChIInChI=1S/C14H32N2/c1-6-13(2)12-16(5)11-7-8-14(3,4)9-10-15/h13H,6-12,15H2,1-5H3
InChIKeyGWOOIEWXSKJRBA-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.12
Rot. Bonds9

About N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine

N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine (PubChem CID 65296383) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine
PubChem CID65296383
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine
SMILESCCC(C)CN(C)CCCC(C)(C)CCN
InChIInChI=1S/C14H32N2/c1-6-13(2)12-16(5)11-7-8-14(3,4)9-10-15/h13H,6-12,15H2,1-5H3
InChIKeyGWOOIEWXSKJRBA-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-2,2-dimethyl-5-[methyl(2-methylbutyl)amino]pentanimidamide
CID 77063572
2-(cyclopropylamino)-2-methyl-5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 64797672
N'-(1-methoxypropan-2-yl)-N',3,3-trimethylhexane-1,6-diamine
CID 65296234
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
2-methyl-6-[methyl(2-methylbutyl)amino]-2-(propylamino)hexan-1-ol
CID 64798749
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295435
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066
N'-butyl-N'-ethyl-3,3-dimethylhexane-1,6-diamine
CID 65296059
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
N'-cyclopropyl-3,3-dimethyl-N'-(3-methylbutyl)hexane-1,6-diamine
CID 79005181

Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine?
The IUPAC name of N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine (CID 65296383) is N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine.
What is the SMILES notation for N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine?
The canonical SMILES for N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine is CCC(C)CN(C)CCCC(C)(C)CCN.
What is the InChIKey of N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine?
The InChIKey is GWOOIEWXSKJRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-13(2)12-16(5)11-7-8-14(3,4)9-10-15/h13H,6-12,15H2,1-5H3.
What are the key properties of N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine?
N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine is sourced from PubChem (CID 65296383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).