N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine

C16H31N — CID 58185963

IUPACN-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
SMILESC=C(CC(C)(C)CC)NC(CC(C)C)C(=C)C
InChIInChI=1S/C16H31N/c1-9-16(7,8)11-14(6)17-15(13(4)5)10-12(2)3/h12,15,17H,4,6,9-11H2,1-3,5,7-8H3
InChIKeyYGFHOSOZSPIPEM-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.91
Rot. Bonds8

About N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine

N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine (PubChem CID 58185963) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
PubChem CID58185963
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
SMILESC=C(CC(C)(C)CC)NC(CC(C)C)C(=C)C
InChIInChI=1S/C16H31N/c1-9-16(7,8)11-14(6)17-15(13(4)5)10-12(2)3/h12,15,17H,4,6,9-11H2,1-3,5,7-8H3
InChIKeyYGFHOSOZSPIPEM-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
N-(3-cyclopentylprop-1-en-2-yl)-4-fluoro-2,4-dimethylpent-1-en-3-amine
CID 143786509
3-ethyl-4-methyl-N-(2-methylpent-1-en-3-yl)penta-1,4-dien-2-amine
CID 57525948
2-Tert-butyl-5-methylidenepyrrolidine
CID 57665262
N-(1-cyclopentylethenyl)propan-2-amine
CID 58450055
5-Tert-butyl-2-methylidenepiperidine
CID 59464696
2,3-Ditert-butyl-5-methylidenepyrrolidine
CID 68259001
3,3,5-trimethyl-N-propan-2-ylcyclohexen-1-amine
CID 70368562
N-ethyl-2,4-dimethylhex-1-en-3-amine
CID 79177722
3-tert-butyl-5,5-dimethyl-N-propan-2-ylhex-1-en-2-amine
CID 89192234
N-ethyl-6,6,7-trimethyl-4-methylideneoct-7-en-3-amine
CID 89217463
4-ethyl-4-methyl-3-methylidene-N-propan-2-ylhexan-2-amine
CID 91412540

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine?
The IUPAC name of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine (CID 58185963) is N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine.
What is the SMILES notation for N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine?
The canonical SMILES for N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine is C=C(CC(C)(C)CC)NC(CC(C)C)C(=C)C.
What is the InChIKey of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine?
The InChIKey is YGFHOSOZSPIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-9-16(7,8)11-14(6)17-15(13(4)5)10-12(2)3/h12,15,17H,4,6,9-11H2,1-3,5,7-8H3.
What are the key properties of N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine?
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine has a molecular weight of 237.43 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine is sourced from PubChem (CID 58185963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).