N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine

C11H21N — CID 118551825

IUPACN,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine
SMILESCC(C)C1=CCC(N(C)C)CC1
InChIInChI=1S/C11H21N/c1-9(2)10-5-7-11(8-6-10)12(3)4/h5,9,11H,6-8H2,1-4H3
InChIKeyLMKXWEVYARZMOD-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds2

About N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine

N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine (PubChem CID 118551825) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine
PubChem CID118551825
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine
SMILESCC(C)C1=CCC(N(C)C)CC1
InChIInChI=1S/C11H21N/c1-9(2)10-5-7-11(8-6-10)12(3)4/h5,9,11H,6-8H2,1-4H3
InChIKeyLMKXWEVYARZMOD-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine?
The IUPAC name of N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine (CID 118551825) is N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine.
What is the SMILES notation for N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine?
The canonical SMILES for N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine is CC(C)C1=CCC(N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine?
The InChIKey is LMKXWEVYARZMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)10-5-7-11(8-6-10)12(3)4/h5,9,11H,6-8H2,1-4H3.
What are the key properties of N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine?
N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propan-2-ylcyclohex-3-en-1-amine is sourced from PubChem (CID 118551825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).