5,7-dimethyl-6-methylideneoctan-1-amine

C11H23N — CID 129100170

IUPAC5,7-dimethyl-6-methylideneoctan-1-amine
SMILESC=C(C(C)C)C(C)CCCCN
InChIInChI=1S/C11H23N/c1-9(2)11(4)10(3)7-5-6-8-12/h9-10H,4-8,12H2,1-3H3
InChIKeyNFJBHSYVXPSXTC-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.96
Rot. Bonds6

About 5,7-dimethyl-6-methylideneoctan-1-amine

5,7-dimethyl-6-methylideneoctan-1-amine (PubChem CID 129100170) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 5,7-dimethyl-6-methylideneoctan-1-amine.

Molecular Properties

Compound Name5,7-dimethyl-6-methylideneoctan-1-amine
PubChem CID129100170
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name5,7-dimethyl-6-methylideneoctan-1-amine
SMILESC=C(C(C)C)C(C)CCCCN
InChIInChI=1S/C11H23N/c1-9(2)11(4)10(3)7-5-6-8-12/h9-10H,4-8,12H2,1-3H3
InChIKeyNFJBHSYVXPSXTC-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-5-methylideneheptan-1-amine
CID 135230946
5-methyl-4-methylidenenonane-1,9-diamine
CID 174330034
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
(3S)-7-amino-3-methylheptan-2-one;ethane
CID 145493099
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
7-amino-2,4-dimethylheptan-3-one
CID 116613359
7-methyl-6-methylideneoctan-1-amine
CID 129099714
8-methyl-7-methylidenenonan-1-amine
CID 174252779
(4S)-8-amino-4-(tert-butylamino)-2-methyloctan-3-one
CID 177276653
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
36-methylheptatriacontan-1-amine
CID 134324173
6-amino-2-methylhexanoic acid;2-methylhexanoic acid
CID 157205316

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-methylideneoctan-1-amine?
The IUPAC name of 5,7-dimethyl-6-methylideneoctan-1-amine (CID 129100170) is 5,7-dimethyl-6-methylideneoctan-1-amine.
What is the SMILES notation for 5,7-dimethyl-6-methylideneoctan-1-amine?
The canonical SMILES for 5,7-dimethyl-6-methylideneoctan-1-amine is C=C(C(C)C)C(C)CCCCN.
What is the InChIKey of 5,7-dimethyl-6-methylideneoctan-1-amine?
The InChIKey is NFJBHSYVXPSXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-9(2)11(4)10(3)7-5-6-8-12/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 5,7-dimethyl-6-methylideneoctan-1-amine?
5,7-dimethyl-6-methylideneoctan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-methylideneoctan-1-amine is sourced from PubChem (CID 129100170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).