4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine

C19H35N — CID 123297288

IUPAC4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine
SMILESCCC=CCN(CC(C)C)C1CCC(C)=C(C(C)C)C1
InChIInChI=1S/C19H35N/c1-7-8-9-12-20(14-15(2)3)18-11-10-17(6)19(13-18)16(4)5/h8-9,15-16,18H,7,10-14H2,1-6H3
InChIKeyDQHDWAYFRJVNPS-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.44
Rot. Bonds7

About 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine

4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine (PubChem CID 123297288) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine
PubChem CID123297288
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine
SMILESCCC=CCN(CC(C)C)C1CCC(C)=C(C(C)C)C1
InChIInChI=1S/C19H35N/c1-7-8-9-12-20(14-15(2)3)18-11-10-17(6)19(13-18)16(4)5/h8-9,15-16,18H,7,10-14H2,1-6H3
InChIKeyDQHDWAYFRJVNPS-UHFFFAOYSA-N
XLogP5.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,7R,11R)-N,N-Diisopropyl-3,7,11,15-tetramethyl-2-hexadecen-1-amine
CID 6476638
1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
1-fluoro-N-(2-methylpentyl)-N-nonylcyclohexa-2,4-dien-1-amine
CID 23123042
4-(2-fluorocyclohex-3-en-1-yl)-N-methyl-N-propylbutan-2-amine
CID 89985334
N-[1-(2-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethyl]-N-propylpropan-1-amine
CID 168231891
2-(Fluoromethyl)-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496656
(2S)-2-(fluoromethyl)-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496664
(2R)-2-(fluoromethyl)-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496831
(2R,5Z)-3-fluoro-2-(3-methylbut-1-en-2-yl)-1-propan-2-yl-3,4,7,8-tetrahydro-2H-azocine
CID 178930137
(2S,7S)-4-fluoro-7-methyl-2-(3-methylbut-1-en-2-yl)-1-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 178930586
(2S)-4-fluoro-2-(3-methylbut-1-en-2-yl)-1-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 178930603
(2R)-3-fluoro-2-(3-methylbut-1-en-2-yl)-1-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 178933184

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine (CID 123297288) is 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine is CCC=CCN(CC(C)C)C1CCC(C)=C(C(C)C)C1.
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine?
The InChIKey is DQHDWAYFRJVNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-7-8-9-12-20(14-15(2)3)18-11-10-17(6)19(13-18)16(4)5/h8-9,15-16,18H,7,10-14H2,1-6H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine?
4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine has a molecular weight of 277.50 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-N-pent-2-enyl-3-propan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 123297288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).