4,7-dimethyloctan-1-amine

C10H23N — CID 123439711

IUPAC4,7-dimethyloctan-1-amine
SMILESCC(C)CCC(C)CCCN
InChIInChI=1S/C10H23N/c1-9(2)6-7-10(3)5-4-8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyRDAQLXSBFIRSCT-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.80
Rot. Bonds6

About 4,7-dimethyloctan-1-amine

4,7-dimethyloctan-1-amine (PubChem CID 123439711) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 4,7-dimethyloctan-1-amine.

Molecular Properties

Compound Name4,7-dimethyloctan-1-amine
PubChem CID123439711
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name4,7-dimethyloctan-1-amine
SMILESCC(C)CCC(C)CCCN
InChIInChI=1S/C10H23N/c1-9(2)6-7-10(3)5-4-8-11/h9-10H,4-8,11H2,1-3H3
InChIKeyRDAQLXSBFIRSCT-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5,9,13-tetramethyltetradecane
CID 58292409
(3R)-3,7-dimethyloctan-1-amine
CID 92974894
4-methylheptan-1-amine
CID 18618988
(3R)-3,11-dimethyldodecan-1-amine
CID 118054380
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
36-methylheptatriacontan-1-amine
CID 134324173
N-ethyl-2-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 89326365
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
9-amino-2,6-dimethylnonan-2-ol
CID 55254540
tetrakis((3S)-3,7-dimethyloctan-1-amine);platinum(2+);tetrachloroplatinum(2-)
CID 173193055

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyloctan-1-amine?
The IUPAC name of 4,7-dimethyloctan-1-amine (CID 123439711) is 4,7-dimethyloctan-1-amine.
What is the SMILES notation for 4,7-dimethyloctan-1-amine?
The canonical SMILES for 4,7-dimethyloctan-1-amine is CC(C)CCC(C)CCCN.
What is the InChIKey of 4,7-dimethyloctan-1-amine?
The InChIKey is RDAQLXSBFIRSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-9(2)6-7-10(3)5-4-8-11/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 4,7-dimethyloctan-1-amine?
4,7-dimethyloctan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyloctan-1-amine is sourced from PubChem (CID 123439711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).