3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine

C10H17N — CID 12982239

IUPAC3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1=CC=CC1
InChIInChI=1S/C10H17N/c1-11(2)9-5-8-10-6-3-4-7-10/h3-4,6H,5,7-9H2,1-2H3
InChIKeyMKJSWWMBGPREED-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.21
Rot. Bonds4

About 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine

3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine (PubChem CID 12982239) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
PubChem CID12982239
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCC1=CC=CC1
InChIInChI=1S/C10H17N/c1-11(2)9-5-8-10-6-3-4-7-10/h3-4,6H,5,7-9H2,1-2H3
InChIKeyMKJSWWMBGPREED-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine (CID 12982239) is 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine is CN(C)CCCC1=CC=CC1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The InChIKey is MKJSWWMBGPREED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-11(2)9-5-8-10-6-3-4-7-10/h3-4,6H,5,7-9H2,1-2H3.
What are the key properties of 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12982239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).