4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine

C14H23N — CID 89168426

IUPAC4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine
SMILESC=C(CCC1=CC=C(C)CC1)NCCC
InChIInChI=1S/C14H23N/c1-4-11-15-13(3)7-10-14-8-5-12(2)6-9-14/h5,8,15H,3-4,6-7,9-11H2,1-2H3
InChIKeyHVDGZNISBWEFJS-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.95
Rot. Bonds6

About 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine

4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine (PubChem CID 89168426) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine.

Molecular Properties

Compound Name4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine
PubChem CID89168426
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine
SMILESC=C(CCC1=CC=C(C)CC1)NCCC
InChIInChI=1S/C14H23N/c1-4-11-15-13(3)7-10-14-8-5-12(2)6-9-14/h5,8,15H,3-4,6-7,9-11H2,1-2H3
InChIKeyHVDGZNISBWEFJS-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-(Cyclohex-1-en-1-yl)ethyl](methyl)amine
CID 18360934
8-Hexahydroquinoline
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10,13,14-Octahydrophenanthridine
CID 21863971
1,2,5,6,7,8-Hexahydroquinoline
CID 53784000
6,7,8,9-Tetrahydro-1-benzazepine
CID 67639352
7,8-Hexahydro-2-quinolone
CID 129792648
(4E)-4-methyl-3-methylidene-N-[1-(6-propylcyclohexa-1,5-dien-1-yl)ethenyl]hepta-4,6-dien-1-amine
CID 134223126
N-[(Z)-4-methylpent-2-enyl]bicyclo[5.1.0]octa-1(8),2,7-trien-3-amine
CID 134224990
(7aS)-6-but-1-en-2-yl-5-methyl-7,7a-dihydro-1H-indole
CID 134224997
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine?
The IUPAC name of 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine (CID 89168426) is 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine.
What is the SMILES notation for 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine?
The canonical SMILES for 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine is C=C(CCC1=CC=C(C)CC1)NCCC.
What is the InChIKey of 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine?
The InChIKey is HVDGZNISBWEFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-11-15-13(3)7-10-14-8-5-12(2)6-9-14/h5,8,15H,3-4,6-7,9-11H2,1-2H3.
What are the key properties of 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine?
4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexa-1,3-dien-1-yl)-N-propylbut-1-en-2-amine is sourced from PubChem (CID 89168426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).