2,4-dimethyl-3-methylideneoctan-4-amine

C11H23N — CID 167114018

IUPAC2,4-dimethyl-3-methylideneoctan-4-amine
SMILESC=C(C(C)C)C(C)(N)CCCC
InChIInChI=1S/C11H23N/c1-6-7-8-11(5,12)10(4)9(2)3/h9H,4,6-8,12H2,1-3,5H3
InChIKeyDOUGBZKVEMOVFV-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.11
Rot. Bonds5

About 2,4-dimethyl-3-methylideneoctan-4-amine

2,4-dimethyl-3-methylideneoctan-4-amine (PubChem CID 167114018) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,4-dimethyl-3-methylideneoctan-4-amine.

Molecular Properties

Compound Name2,4-dimethyl-3-methylideneoctan-4-amine
PubChem CID167114018
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,4-dimethyl-3-methylideneoctan-4-amine
SMILESC=C(C(C)C)C(C)(N)CCCC
InChIInChI=1S/C11H23N/c1-6-7-8-11(5,12)10(4)9(2)3/h9H,4,6-8,12H2,1-3,5H3
InChIKeyDOUGBZKVEMOVFV-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-amino-4-methyloctan-3-one
CID 158308473
2,2,3,5-tetramethyl-4-methylidenehexan-3-amine
CID 129167520
methyl (2R)-2-amino-2-methylhexanoate
CID 155453684
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
5-buta-1,3-dien-2-ylnonan-5-amine
CID 90407495
2,2-dimethylhexane;2-methylpropanoic acid
CID 159057066
5-(2-methylpropyl)nonan-5-amine
CID 88761377
2-amino-2-butylhexane-1,1-diol
CID 126727355
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2,6,6-trimethyl-3-methylideneundecane
CID 123351712
iodomethyl 2-amino-2-methylhexanoate
CID 155453624
2-amino-2-methyltetradecanamide
CID 175155192

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-methylideneoctan-4-amine?
The IUPAC name of 2,4-dimethyl-3-methylideneoctan-4-amine (CID 167114018) is 2,4-dimethyl-3-methylideneoctan-4-amine.
What is the SMILES notation for 2,4-dimethyl-3-methylideneoctan-4-amine?
The canonical SMILES for 2,4-dimethyl-3-methylideneoctan-4-amine is C=C(C(C)C)C(C)(N)CCCC.
What is the InChIKey of 2,4-dimethyl-3-methylideneoctan-4-amine?
The InChIKey is DOUGBZKVEMOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-7-8-11(5,12)10(4)9(2)3/h9H,4,6-8,12H2,1-3,5H3.
What are the key properties of 2,4-dimethyl-3-methylideneoctan-4-amine?
2,4-dimethyl-3-methylideneoctan-4-amine has a molecular weight of 169.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-methylideneoctan-4-amine is sourced from PubChem (CID 167114018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).