N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine

C13H25N — CID 79339289

IUPACN-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine
SMILESCCC(C)/C=C(/CNC1CC1)C(C)C
InChIInChI=1S/C13H25N/c1-5-11(4)8-12(10(2)3)9-14-13-6-7-13/h8,10-11,13-14H,5-7,9H2,1-4H3/b12-8-
InChIKeyPIKDWERRTUOJJG-WQLSENKSSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds6

About N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine

N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine (PubChem CID 79339289) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine
PubChem CID79339289
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine
SMILESCCC(C)/C=C(/CNC1CC1)C(C)C
InChIInChI=1S/C13H25N/c1-5-11(4)8-12(10(2)3)9-14-13-6-7-13/h8,10-11,13-14H,5-7,9H2,1-4H3/b12-8-
InChIKeyPIKDWERRTUOJJG-WQLSENKSSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
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 N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine?
The IUPAC name of N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine (CID 79339289) is N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine?
The canonical SMILES for N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine is CCC(C)/C=C(/CNC1CC1)C(C)C.
What is the InChIKey of N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine?
The InChIKey is PIKDWERRTUOJJG-WQLSENKSSA-N. The full InChI is InChI=1S/C13H25N/c1-5-11(4)8-12(10(2)3)9-14-13-6-7-13/h8,10-11,13-14H,5-7,9H2,1-4H3/b12-8-.
What are the key properties of N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine?
N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-methyl-2-propan-2-ylhex-2-enyl]cyclopropanamine is sourced from PubChem (CID 79339289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).