(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine

C11H23N — CID 166998767

IUPAC(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine
SMILESCCC(C)/C=C(\CNC)C(C)C
InChIInChI=1S/C11H23N/c1-6-10(4)7-11(8-12-5)9(2)3/h7,9-10,12H,6,8H2,1-5H3/b11-7+
InChIKeyCTMSBVOPORVCKN-YRNVUSSQSA-N
MW169.31 g/mol
LogP2.83
Rot. Bonds5

About (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine

(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine (PubChem CID 166998767) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine
PubChem CID166998767
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine
SMILESCCC(C)/C=C(\CNC)C(C)C
InChIInChI=1S/C11H23N/c1-6-10(4)7-11(8-12-5)9(2)3/h7,9-10,12H,6,8H2,1-5H3/b11-7+
InChIKeyCTMSBVOPORVCKN-YRNVUSSQSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine?
The IUPAC name of (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine (CID 166998767) is (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine.
What is the SMILES notation for (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine?
The canonical SMILES for (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine is CCC(C)/C=C(\CNC)C(C)C.
What is the InChIKey of (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine?
The InChIKey is CTMSBVOPORVCKN-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H23N/c1-6-10(4)7-11(8-12-5)9(2)3/h7,9-10,12H,6,8H2,1-5H3/b11-7+.
What are the key properties of (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine?
(Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4-dimethyl-2-propan-2-ylhex-2-en-1-amine is sourced from PubChem (CID 166998767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).