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

C10H17N — CID 70022649

IUPAC1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
SMILESCCC(C1=CC=CC1)N(C)C
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)9-7-5-6-8-9/h5-7,10H,4,8H2,1-3H3
InChIKeyNMTZOVQATSKJRY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.21
Rot. Bonds3

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

1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine (PubChem CID 70022649) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
PubChem CID70022649
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine
SMILESCCC(C1=CC=CC1)N(C)C
InChIInChI=1S/C10H17N/c1-4-10(11(2)3)9-7-5-6-8-9/h5-7,10H,4,8H2,1-3H3
InChIKeyNMTZOVQATSKJRY-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine (CID 70022649) is 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine is CCC(C1=CC=CC1)N(C)C.
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
The InChIKey is NMTZOVQATSKJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(11(2)3)9-7-5-6-8-9/h5-7,10H,4,8H2,1-3H3.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine?
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 70022649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).