(3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine

C9H15N — CID 70218059

IUPAC(3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine
SMILESC[C@H]1C=C(N(C)C)C=CC1
InChIInChI=1S/C9H15N/c1-8-5-4-6-9(7-8)10(2)3/h4,6-8H,5H2,1-3H3/t8-/m1/s1
InChIKeyXLMMDTYRZJNVMT-MRVPVSSYSA-N
MW137.23 g/mol
LogP2.03
Rot. Bonds1

About (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine

(3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine (PubChem CID 70218059) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine
PubChem CID70218059
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine
SMILESC[C@H]1C=C(N(C)C)C=CC1
InChIInChI=1S/C9H15N/c1-8-5-4-6-9(7-8)10(2)3/h4,6-8H,5H2,1-3H3/t8-/m1/s1
InChIKeyXLMMDTYRZJNVMT-MRVPVSSYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine (CID 70218059) is (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine is C[C@H]1C=C(N(C)C)C=CC1.
What is the InChIKey of (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is XLMMDTYRZJNVMT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15N/c1-8-5-4-6-9(7-8)10(2)3/h4,6-8H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine?
(3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N,3-trimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 70218059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).