(Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine

C10H18N2 — CID 168911167

IUPAC(Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine
SMILESCC/C(=C(N)\C(C)=N\C)C1CC1
InChIInChI=1S/C10H18N2/c1-4-9(8-5-6-8)10(11)7(2)12-3/h8H,4-6,11H2,1-3H3/b10-9-,12-7+
InChIKeyXFEWKEDDTKRWJK-ZFNKZLGSSA-N
MW166.27 g/mol
LogP2.11
Rot. Bonds3

About (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine

(Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine (PubChem CID 168911167) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine
PubChem CID168911167
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine
SMILESCC/C(=C(N)\C(C)=N\C)C1CC1
InChIInChI=1S/C10H18N2/c1-4-9(8-5-6-8)10(11)7(2)12-3/h8H,4-6,11H2,1-3H3/b10-9-,12-7+
InChIKeyXFEWKEDDTKRWJK-ZFNKZLGSSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.11
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 (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine?
The IUPAC name of (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine (CID 168911167) is (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine.
What is the SMILES notation for (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine?
The canonical SMILES for (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine is CC/C(=C(N)\C(C)=N\C)C1CC1.
What is the InChIKey of (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine?
The InChIKey is XFEWKEDDTKRWJK-ZFNKZLGSSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-9(8-5-6-8)10(11)7(2)12-3/h8H,4-6,11H2,1-3H3/b10-9-,12-7+.
What are the key properties of (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine?
(Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclopropyl-2-methyliminohex-3-en-3-amine is sourced from PubChem (CID 168911167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).