1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine

C14H32N2 — CID 106799622

IUPAC1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine
SMILESCCC(CCCN(C)C(C)C(C)(C)C)NC
InChIInChI=1S/C14H32N2/c1-8-13(15-6)10-9-11-16(7)12(2)14(3,4)5/h12-13,15H,8-11H2,1-7H3
InChIKeySDONVKJBRFAOOH-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds7

About 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine

1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine (PubChem CID 106799622) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine
PubChem CID106799622
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine
SMILESCCC(CCCN(C)C(C)C(C)(C)C)NC
InChIInChI=1S/C14H32N2/c1-8-13(15-6)10-9-11-16(7)12(2)14(3,4)5/h12-13,15H,8-11H2,1-7H3
InChIKeySDONVKJBRFAOOH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3,3-dimethylbutan-2-yl(methyl)amino]hexan-3-ol
CID 106802317
5-[3,3-dimethylbutan-2-yl(methyl)amino]-2,2-dimethylpentanenitrile
CID 65257362
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(methylamino)butanoate
CID 55143354
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(ethylamino)butanenitrile
CID 63029281
6-(methylamino)octan-2-ol
CID 170714877
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 62613768
4-[3,3-dimethylbutan-2-yl(methyl)amino]-2-(propylamino)butanenitrile
CID 63029476
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
1-N,4-N-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,4-diamine
CID 63982710

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine?
The IUPAC name of 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine (CID 106799622) is 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine.
What is the SMILES notation for 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine?
The canonical SMILES for 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine is CCC(CCCN(C)C(C)C(C)(C)C)NC.
What is the InChIKey of 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine?
The InChIKey is SDONVKJBRFAOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-13(15-6)10-9-11-16(7)12(2)14(3,4)5/h12-13,15H,8-11H2,1-7H3.
What are the key properties of 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine?
1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3-dimethylbutan-2-yl)-1-N,4-N-dimethylhexane-1,4-diamine is sourced from PubChem (CID 106799622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).