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

C9H19N — CID 81019816

IUPACN,3,5-trimethylhex-5-en-1-amine
SMILESC=C(C)CC(C)CCNC
InChIInChI=1S/C9H19N/c1-8(2)7-9(3)5-6-10-4/h9-10H,1,5-7H2,2-4H3
InChIKeyXTIJJJSSDWGJQK-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds5

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

N,3,5-trimethylhex-5-en-1-amine (PubChem CID 81019816) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N,3,5-trimethylhex-5-en-1-amine.

Molecular Properties

Compound NameN,3,5-trimethylhex-5-en-1-amine
PubChem CID81019816
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN,3,5-trimethylhex-5-en-1-amine
SMILESC=C(C)CC(C)CCNC
InChIInChI=1S/C9H19N/c1-8(2)7-9(3)5-6-10-4/h9-10H,1,5-7H2,2-4H3
InChIKeyXTIJJJSSDWGJQK-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

(3,7-Dimethyloct-6-en-1-yl)(methyl)amine
CID 22251448
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
(2,6-Dimethylhept-5-en-1-yl)(methyl)amine
CID 146817482
N,5-dimethylhex-5-en-2-amine
CID 55286663
7-(fluoromethyl)-N,2,8-trimethylnon-6-en-1-amine
CID 123264703
(E)-8-fluoro-N,2,4,7-tetramethyloct-6-en-1-amine
CID 134388221
2-Fluoro-3-methyl-5-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 135212630
N'-(4-ethyl-5-fluoro-2-methylidenehexyl)pentane-1,5-diamine
CID 137469562
(3S)-3-(fluoromethyl)-5-prop-1-en-2-ylpiperidine
CID 155399388
3-fluoro-N,2,3,4-tetramethylpent-4-en-1-amine
CID 163835903
(3S,4R)-3-ethenyl-2-fluoro-N,4,5-trimethylhexan-1-amine
CID 174091403
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
CID 10081888

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethylhex-5-en-1-amine?
The IUPAC name of N,3,5-trimethylhex-5-en-1-amine (CID 81019816) is N,3,5-trimethylhex-5-en-1-amine.
What is the SMILES notation for N,3,5-trimethylhex-5-en-1-amine?
The canonical SMILES for N,3,5-trimethylhex-5-en-1-amine is C=C(C)CC(C)CCNC.
What is the InChIKey of N,3,5-trimethylhex-5-en-1-amine?
The InChIKey is XTIJJJSSDWGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)7-9(3)5-6-10-4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of N,3,5-trimethylhex-5-en-1-amine?
N,3,5-trimethylhex-5-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethylhex-5-en-1-amine is sourced from PubChem (CID 81019816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).