1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine

C21H37N — CID 23295309

IUPAC1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine
SMILESCCCC1=C(CCC)C(C2(C(C)N(C)C)CCCCC2)=CC1
InChIInChI=1S/C21H37N/c1-6-11-18-13-14-20(19(18)12-7-2)21(17(3)22(4)5)15-9-8-10-16-21/h14,17H,6-13,15-16H2,1-5H3
InChIKeyAJIYGYJOVQZTRR-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.11
Rot. Bonds7

About 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine

1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine (PubChem CID 23295309) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine
PubChem CID23295309
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine
SMILESCCCC1=C(CCC)C(C2(C(C)N(C)C)CCCCC2)=CC1
InChIInChI=1S/C21H37N/c1-6-11-18-13-14-20(19(18)12-7-2)21(17(3)22(4)5)15-9-8-10-16-21/h14,17H,6-13,15-16H2,1-5H3
InChIKeyAJIYGYJOVQZTRR-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine (CID 23295309) is 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine is CCCC1=C(CCC)C(C2(C(C)N(C)C)CCCCC2)=CC1.
What is the InChIKey of 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine?
The InChIKey is AJIYGYJOVQZTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-6-11-18-13-14-20(19(18)12-7-2)21(17(3)22(4)5)15-9-8-10-16-21/h14,17H,6-13,15-16H2,1-5H3.
What are the key properties of 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine?
1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine has a molecular weight of 303.53 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)cyclohexyl]-N,N-dimethylethanamine is sourced from PubChem (CID 23295309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).