(1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine

C9H15N — CID 12617167

IUPAC(1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1)N(C)C
InChIInChI=1S/C9H15N/c1-8(10(2)3)9-6-4-5-7-9/h4-9H,1-3H3/t8-/m1/s1
InChIKeyRKDHNWSYYAFMMO-MRVPVSSYSA-N
MW137.23 g/mol
LogP1.68
Rot. Bonds2

About (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine

(1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine (PubChem CID 12617167) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
PubChem CID12617167
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine
SMILESC[C@H](C1C=CC=C1)N(C)C
InChIInChI=1S/C9H15N/c1-8(10(2)3)9-6-4-5-7-9/h4-9H,1-3H3/t8-/m1/s1
InChIKeyRKDHNWSYYAFMMO-MRVPVSSYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The IUPAC name of (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine (CID 12617167) is (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine.
What is the SMILES notation for (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The canonical SMILES for (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine is C[C@H](C1C=CC=C1)N(C)C.
What is the InChIKey of (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
The InChIKey is RKDHNWSYYAFMMO-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N/c1-8(10(2)3)9-6-4-5-7-9/h4-9H,1-3H3/t8-/m1/s1.
What are the key properties of (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine?
(1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopenta-2,4-dien-1-yl-N,N-dimethylethanamine is sourced from PubChem (CID 12617167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).