N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine

C11H20N2 — CID 123368874

IUPACN-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
SMILES[H]/N=C1/C=CC(N(CC)C(C)C)CC1
InChIInChI=1S/C11H20N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h5,7,9,11-12H,4,6,8H2,1-3H3/b12-10-
InChIKeyZOIXSVZVCAPLKZ-BENRWUELSA-N
MW180.29 g/mol
LogP2.46
Rot. Bonds3

About N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine

N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine (PubChem CID 123368874) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
PubChem CID123368874
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
SMILES[H]/N=C1/C=CC(N(CC)C(C)C)CC1
InChIInChI=1S/C11H20N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h5,7,9,11-12H,4,6,8H2,1-3H3/b12-10-
InChIKeyZOIXSVZVCAPLKZ-BENRWUELSA-N
XLogP2.46
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine?
The IUPAC name of N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine (CID 123368874) is N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine.
What is the SMILES notation for N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine?
The canonical SMILES for N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine is [H]/N=C1/C=CC(N(CC)C(C)C)CC1.
What is the InChIKey of N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine?
The InChIKey is ZOIXSVZVCAPLKZ-BENRWUELSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-13(9(2)3)11-7-5-10(12)6-8-11/h5,7,9,11-12H,4,6,8H2,1-3H3/b12-10-.
What are the key properties of N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine?
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine is sourced from PubChem (CID 123368874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).