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

C15H27N — CID 23295314

IUPAC1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCCC1=C(CCC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C15H27N/c1-6-8-13-10-11-14(12(3)16(4)5)15(13)9-7-2/h11-12H,6-10H2,1-5H3
InChIKeyWJROHEGABWLWQR-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.16
Rot. Bonds6

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

1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 23295314) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID23295314
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCCCC1=C(CCC)C(C(C)N(C)C)=CC1
InChIInChI=1S/C15H27N/c1-6-8-13-10-11-14(12(3)16(4)5)15(13)9-7-2/h11-12H,6-10H2,1-5H3
InChIKeyWJROHEGABWLWQR-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (CID 23295314) is 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is CCCC1=C(CCC)C(C(C)N(C)C)=CC1.
What is the InChIKey of 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is WJROHEGABWLWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-8-13-10-11-14(12(3)16(4)5)15(13)9-7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 221.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dipropylcyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 23295314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).