N,3,5-trimethylhex-1-en-3-amine

C9H19N — CID 145461541

IUPACN,3,5-trimethylhex-1-en-3-amine
SMILESC=CC(C)(CC(C)C)NC
InChIInChI=1S/C9H19N/c1-6-9(4,10-5)7-8(2)3/h6,8,10H,1,7H2,2-5H3
InChIKeyLKAFBHJMXCMABP-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds4

About N,3,5-trimethylhex-1-en-3-amine

N,3,5-trimethylhex-1-en-3-amine (PubChem CID 145461541) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,3,5-trimethylhex-1-en-3-amine.

Molecular Properties

Compound NameN,3,5-trimethylhex-1-en-3-amine
PubChem CID145461541
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,3,5-trimethylhex-1-en-3-amine
SMILESC=CC(C)(CC(C)C)NC
InChIInChI=1S/C9H19N/c1-6-9(4,10-5)7-8(2)3/h6,8,10H,1,7H2,2-5H3
InChIKeyLKAFBHJMXCMABP-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
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

N,3-dimethylpent-1-en-3-amine
CID 123650218
2-ethenyl-2,4-dimethylpentan-1-amine
CID 102640269
3-(chloromethyl)-3,5-dimethylhex-1-ene
CID 102642065
CID 22228898
CID 22228898
N,2,3,5-tetramethylhex-1-en-3-amine
CID 145459667
ethane;2-methylbutane;N,2,4-trimethylpentan-2-amine
CID 164863401
CID 174450797
CID 174450797
N,3,5-trimethylhept-6-en-3-amine
CID 89228225
(2R)-2-amino-2-ethenyl-4-methylpentanoic acid
CID 10511127
2-iodo-2,4-dimethylpentanenitrile
CID 58298002
2-tert-butyl-N-methylbut-3-en-1-amine
CID 134342155
N,2,6-trimethyl-4-(trifluoromethyl)heptan-4-amine
CID 114868730

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethylhex-1-en-3-amine?
The IUPAC name of N,3,5-trimethylhex-1-en-3-amine (CID 145461541) is N,3,5-trimethylhex-1-en-3-amine.
What is the SMILES notation for N,3,5-trimethylhex-1-en-3-amine?
The canonical SMILES for N,3,5-trimethylhex-1-en-3-amine is C=CC(C)(CC(C)C)NC.
What is the InChIKey of N,3,5-trimethylhex-1-en-3-amine?
The InChIKey is LKAFBHJMXCMABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-6-9(4,10-5)7-8(2)3/h6,8,10H,1,7H2,2-5H3.
What are the key properties of N,3,5-trimethylhex-1-en-3-amine?
N,3,5-trimethylhex-1-en-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethylhex-1-en-3-amine is sourced from PubChem (CID 145461541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).