(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine

C10H17N — CID 88993019

IUPAC(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine
SMILESCCC[C@H]1C=CC=C(NC)C1
InChIInChI=1S/C10H17N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-7,9,11H,3,5,8H2,1-2H3/t9-/m0/s1
InChIKeyFPKQNHCFLKKQLP-VIFPVBQESA-N
MW151.25 g/mol
LogP2.47
Rot. Bonds3

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

(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine (PubChem CID 88993019) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine
PubChem CID88993019
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine
SMILESCCC[C@H]1C=CC=C(NC)C1
InChIInChI=1S/C10H17N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-7,9,11H,3,5,8H2,1-2H3/t9-/m0/s1
InChIKeyFPKQNHCFLKKQLP-VIFPVBQESA-N
XLogP2.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine?
The IUPAC name of (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine (CID 88993019) is (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine is CCC[C@H]1C=CC=C(NC)C1.
What is the InChIKey of (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine?
The InChIKey is FPKQNHCFLKKQLP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-7,9,11H,3,5,8H2,1-2H3/t9-/m0/s1.
What are the key properties of (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine?
(5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-methyl-5-propylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 88993019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).