2,3,7-trimethyloctan-4-amine

C11H25N — CID 115834649

IUPAC2,3,7-trimethyloctan-4-amine
SMILESCC(C)CCC(N)C(C)C(C)C
InChIInChI=1S/C11H25N/c1-8(2)6-7-11(12)10(5)9(3)4/h8-11H,6-7,12H2,1-5H3
InChIKeyWDEOIAXVTUWDMC-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.04
Rot. Bonds5

About 2,3,7-trimethyloctan-4-amine

2,3,7-trimethyloctan-4-amine (PubChem CID 115834649) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 2,3,7-trimethyloctan-4-amine.

Molecular Properties

Compound Name2,3,7-trimethyloctan-4-amine
PubChem CID115834649
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name2,3,7-trimethyloctan-4-amine
SMILESCC(C)CCC(N)C(C)C(C)C
InChIInChI=1S/C11H25N/c1-8(2)6-7-11(12)10(5)9(3)4/h8-11H,6-7,12H2,1-5H3
InChIKeyWDEOIAXVTUWDMC-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,7R)-2,3,7-trimethylnonan-4-amine
CID 174014223
1,1-difluoro-5-methylhexan-2-amine
CID 103759774
(2S)-2-amino-5-methylhexane-1,1-diol
CID 134578683
2,8-dimethylnonan-5-amine
CID 15030000
1-cyclopropyl-4,5-dimethylhexan-3-amine
CID 104995209
4-methylpentane-1,1-diamine;dihydrochloride
CID 87818690
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
1-chloro-4-methylpentan-1-amine
CID 147653436
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
2,9-dimethyl-5,6-bis(3-methylbutyl)decane
CID 139994880
2,8-dimethyl-5-(3-methylbutyl)nonane
CID 57230829

Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyloctan-4-amine?
The IUPAC name of 2,3,7-trimethyloctan-4-amine (CID 115834649) is 2,3,7-trimethyloctan-4-amine.
What is the SMILES notation for 2,3,7-trimethyloctan-4-amine?
The canonical SMILES for 2,3,7-trimethyloctan-4-amine is CC(C)CCC(N)C(C)C(C)C.
What is the InChIKey of 2,3,7-trimethyloctan-4-amine?
The InChIKey is WDEOIAXVTUWDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-8(2)6-7-11(12)10(5)9(3)4/h8-11H,6-7,12H2,1-5H3.
What are the key properties of 2,3,7-trimethyloctan-4-amine?
2,3,7-trimethyloctan-4-amine has a molecular weight of 171.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyloctan-4-amine is sourced from PubChem (CID 115834649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).