(1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine

C9H15N — CID 12063130

IUPAC(1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
SMILESC[C@@H](C1=CCC=C1)N(C)C
InChIInChI=1S/C9H15N/c1-8(10(2)3)9-6-4-5-7-9/h4,6-8H,5H2,1-3H3/t8-/m0/s1
InChIKeyHBKNCCCVCDKILO-QMMMGPOBSA-N
MW137.23 g/mol
LogP1.82
Rot. Bonds2

About (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine

(1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine (PubChem CID 12063130) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
PubChem CID12063130
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine
SMILESC[C@@H](C1=CCC=C1)N(C)C
InChIInChI=1S/C9H15N/c1-8(10(2)3)9-6-4-5-7-9/h4,6-8H,5H2,1-3H3/t8-/m0/s1
InChIKeyHBKNCCCVCDKILO-QMMMGPOBSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine?
The IUPAC name of (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine (CID 12063130) is (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine.
What is the SMILES notation for (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine?
The canonical SMILES for (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine is C[C@@H](C1=CCC=C1)N(C)C.
What is the InChIKey of (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine?
The InChIKey is HBKNCCCVCDKILO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N/c1-8(10(2)3)9-6-4-5-7-9/h4,6-8H,5H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine?
(1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopenta-1,4-dien-1-yl-N,N-dimethylethanamine is sourced from PubChem (CID 12063130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).