1-N,3-dimethylheptane-1,6-diamine;ethane

C11H28N2 — CID 145117681

IUPAC1-N,3-dimethylheptane-1,6-diamine;ethane
SMILESCC.CNCCC(C)CCC(C)N
InChIInChI=1S/C9H22N2.C2H6/c1-8(6-7-11-3)4-5-9(2)10;1-2/h8-9,11H,4-7,10H2,1-3H3;1-2H3
InChIKeySKAQNIIUADKODJ-UHFFFAOYSA-N
MW188.36 g/mol
LogP2.39
Rot. Bonds6

About 1-N,3-dimethylheptane-1,6-diamine;ethane

1-N,3-dimethylheptane-1,6-diamine;ethane (PubChem CID 145117681) has the molecular formula C11H28N2 and a molecular weight of 188.36 g/mol. Its IUPAC name is 1-N,3-dimethylheptane-1,6-diamine;ethane.

Molecular Properties

Compound Name1-N,3-dimethylheptane-1,6-diamine;ethane
PubChem CID145117681
Molecular FormulaC11H28N2
Molecular Weight188.36 g/mol
Exact Mass188.23
IUPAC Name1-N,3-dimethylheptane-1,6-diamine;ethane
SMILESCC.CNCCC(C)CCC(C)N
InChIInChI=1S/C9H22N2.C2H6/c1-8(6-7-11-3)4-5-9(2)10;1-2/h8-9,11H,4-7,10H2,1-3H3;1-2H3
InChIKeySKAQNIIUADKODJ-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,6-trimethylnonan-1-amine
CID 139316935
N,3-dimethylpentan-1-amine;ethane
CID 142089517
(5R)-hexane-2,5-diamine
CID 144618459
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
5-methyltridecane-2,12-diamine
CID 18720546
2-methylhexane-1,5-diamine
CID 18314368
N,3-dimethylnonan-1-amine
CID 81019354
(5S)-5-methyl-7-(methylamino)heptan-2-one
CID 89328211
5-methylheptan-2-amine;hydrochloride
CID 127255592
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
(2R,5R)-5-amino-2-methylhexan-1-ol
CID 167005595
ethane;3-ethoxy-N-methylbutan-1-amine
CID 172587182

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethylheptane-1,6-diamine;ethane?
The IUPAC name of 1-N,3-dimethylheptane-1,6-diamine;ethane (CID 145117681) is 1-N,3-dimethylheptane-1,6-diamine;ethane.
What is the SMILES notation for 1-N,3-dimethylheptane-1,6-diamine;ethane?
The canonical SMILES for 1-N,3-dimethylheptane-1,6-diamine;ethane is CC.CNCCC(C)CCC(C)N.
What is the InChIKey of 1-N,3-dimethylheptane-1,6-diamine;ethane?
The InChIKey is SKAQNIIUADKODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.C2H6/c1-8(6-7-11-3)4-5-9(2)10;1-2/h8-9,11H,4-7,10H2,1-3H3;1-2H3.
What are the key properties of 1-N,3-dimethylheptane-1,6-diamine;ethane?
1-N,3-dimethylheptane-1,6-diamine;ethane has a molecular weight of 188.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-dimethylheptane-1,6-diamine;ethane is sourced from PubChem (CID 145117681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).