3,6,7,8-tetramethylnonan-4-amine

C13H29N — CID 138714564

IUPAC3,6,7,8-tetramethylnonan-4-amine
SMILESCCC(C)C(N)CC(C)C(C)C(C)C
InChIInChI=1S/C13H29N/c1-7-10(4)13(14)8-11(5)12(6)9(2)3/h9-13H,7-8,14H2,1-6H3
InChIKeyFZBNCUCKEJQGPV-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.68
Rot. Bonds6

About 3,6,7,8-tetramethylnonan-4-amine

3,6,7,8-tetramethylnonan-4-amine (PubChem CID 138714564) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,6,7,8-tetramethylnonan-4-amine.

Molecular Properties

Compound Name3,6,7,8-tetramethylnonan-4-amine
PubChem CID138714564
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,6,7,8-tetramethylnonan-4-amine
SMILESCCC(C)C(N)CC(C)C(C)C(C)C
InChIInChI=1S/C13H29N/c1-7-10(4)13(14)8-11(5)12(6)9(2)3/h9-13H,7-8,14H2,1-6H3
InChIKeyFZBNCUCKEJQGPV-UHFFFAOYSA-N
XLogP3.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2,5-dimethylheptan-4-amine
CID 145304890
(4S)-2,3,4-trimethylhexane
CID 58359072
6-ethyl-3-methyloctan-4-amine
CID 82922428
(3R)-4,5-dimethylheptan-3-amine
CID 163978078
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
(2R,3S)-3-methylpentane-1,2-diamine
CID 93094304
4-butan-2-yl-2,3,5,6-tetramethylheptane
CID 123598520
(4R)-2,4-dimethylhexan-3-amine
CID 59252919
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
bis(2,3-dimethylpentane);tetrakis(2-methylbutane)
CID 158387932

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8-tetramethylnonan-4-amine?
The IUPAC name of 3,6,7,8-tetramethylnonan-4-amine (CID 138714564) is 3,6,7,8-tetramethylnonan-4-amine.
What is the SMILES notation for 3,6,7,8-tetramethylnonan-4-amine?
The canonical SMILES for 3,6,7,8-tetramethylnonan-4-amine is CCC(C)C(N)CC(C)C(C)C(C)C.
What is the InChIKey of 3,6,7,8-tetramethylnonan-4-amine?
The InChIKey is FZBNCUCKEJQGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-10(4)13(14)8-11(5)12(6)9(2)3/h9-13H,7-8,14H2,1-6H3.
What are the key properties of 3,6,7,8-tetramethylnonan-4-amine?
3,6,7,8-tetramethylnonan-4-amine has a molecular weight of 199.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8-tetramethylnonan-4-amine is sourced from PubChem (CID 138714564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).