1-N-hexan-2-yl-2-methylheptane-1,6-diamine

C14H32N2 — CID 65295730

IUPAC1-N-hexan-2-yl-2-methylheptane-1,6-diamine
SMILESCCCCC(C)NCC(C)CCCC(C)N
InChIInChI=1S/C14H32N2/c1-5-6-10-14(4)16-11-12(2)8-7-9-13(3)15/h12-14,16H,5-11,15H2,1-4H3
InChIKeyLCWWJVHZVCRFEU-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.31
Rot. Bonds10

About 1-N-hexan-2-yl-2-methylheptane-1,6-diamine

1-N-hexan-2-yl-2-methylheptane-1,6-diamine (PubChem CID 65295730) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-hexan-2-yl-2-methylheptane-1,6-diamine.

Molecular Properties

Compound Name1-N-hexan-2-yl-2-methylheptane-1,6-diamine
PubChem CID65295730
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-hexan-2-yl-2-methylheptane-1,6-diamine
SMILESCCCCC(C)NCC(C)CCCC(C)N
InChIInChI=1S/C14H32N2/c1-5-6-10-14(4)16-11-12(2)8-7-9-13(3)15/h12-14,16H,5-11,15H2,1-4H3
InChIKeyLCWWJVHZVCRFEU-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
1-N-hexan-2-yl-4-methylpentane-1,2-diamine
CID 62200998
6-methylnonadecan-2-amine
CID 54497673
6-methylnonan-2-amine
CID 64502929
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
N-heptan-2-yl-N',2-dimethylpropane-1,3-diamine
CID 79201836
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372
6-methyl-N-(2-methylbutyl)heptan-2-amine
CID 43106983
N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine
CID 63982163
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
1-N,1-N-diethyl-4-N-(2-methylpentyl)pentane-1,4-diamine
CID 43201103
(2S)-tridecan-2-amine
CID 24884182

Frequently Asked Questions

What is the IUPAC name of 1-N-hexan-2-yl-2-methylheptane-1,6-diamine?
The IUPAC name of 1-N-hexan-2-yl-2-methylheptane-1,6-diamine (CID 65295730) is 1-N-hexan-2-yl-2-methylheptane-1,6-diamine.
What is the SMILES notation for 1-N-hexan-2-yl-2-methylheptane-1,6-diamine?
The canonical SMILES for 1-N-hexan-2-yl-2-methylheptane-1,6-diamine is CCCCC(C)NCC(C)CCCC(C)N.
What is the InChIKey of 1-N-hexan-2-yl-2-methylheptane-1,6-diamine?
The InChIKey is LCWWJVHZVCRFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-6-10-14(4)16-11-12(2)8-7-9-13(3)15/h12-14,16H,5-11,15H2,1-4H3.
What are the key properties of 1-N-hexan-2-yl-2-methylheptane-1,6-diamine?
1-N-hexan-2-yl-2-methylheptane-1,6-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.31, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexan-2-yl-2-methylheptane-1,6-diamine is sourced from PubChem (CID 65295730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).