3-ethylidene-N-propan-2-ylhex-4-en-2-amine

C11H21N — CID 90718171

IUPAC3-ethylidene-N-propan-2-ylhex-4-en-2-amine
SMILESCC=CC(=CC)C(C)NC(C)C
InChIInChI=1S/C11H21N/c1-6-8-11(7-2)10(5)12-9(3)4/h6-10,12H,1-5H3
InChIKeyWGWJEQMZKJHXEH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.90
Rot. Bonds4

About 3-ethylidene-N-propan-2-ylhex-4-en-2-amine

3-ethylidene-N-propan-2-ylhex-4-en-2-amine (PubChem CID 90718171) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-ethylidene-N-propan-2-ylhex-4-en-2-amine.

Molecular Properties

Compound Name3-ethylidene-N-propan-2-ylhex-4-en-2-amine
PubChem CID90718171
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-ethylidene-N-propan-2-ylhex-4-en-2-amine
SMILESCC=CC(=CC)C(C)NC(C)C
InChIInChI=1S/C11H21N/c1-6-8-11(7-2)10(5)12-9(3)4/h6-10,12H,1-5H3
InChIKeyWGWJEQMZKJHXEH-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
2,4,6-Cycloheptatriene-1-ethylamine
CID 58094
N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopropanamine
CID 164609141
6-Methyl-2-propylamino-5-heptene
CID 12541942
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-N-propan-2-ylhex-4-en-2-amine?
The IUPAC name of 3-ethylidene-N-propan-2-ylhex-4-en-2-amine (CID 90718171) is 3-ethylidene-N-propan-2-ylhex-4-en-2-amine.
What is the SMILES notation for 3-ethylidene-N-propan-2-ylhex-4-en-2-amine?
The canonical SMILES for 3-ethylidene-N-propan-2-ylhex-4-en-2-amine is CC=CC(=CC)C(C)NC(C)C.
What is the InChIKey of 3-ethylidene-N-propan-2-ylhex-4-en-2-amine?
The InChIKey is WGWJEQMZKJHXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-8-11(7-2)10(5)12-9(3)4/h6-10,12H,1-5H3.
What are the key properties of 3-ethylidene-N-propan-2-ylhex-4-en-2-amine?
3-ethylidene-N-propan-2-ylhex-4-en-2-amine has a molecular weight of 167.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-N-propan-2-ylhex-4-en-2-amine is sourced from PubChem (CID 90718171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).