N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine

C11H21N — CID 155225680

IUPACN,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine
SMILESCC/C=C(\C)C1(C)CC1(C)NC
InChIInChI=1S/C11H21N/c1-6-7-9(2)10(3)8-11(10,4)12-5/h7,12H,6,8H2,1-5H3/b9-7+
InChIKeyXFEZDLMQFYUAAK-VQHVLOKHSA-N
MW167.30 g/mol
LogP2.73
Rot. Bonds3

About N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine

N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine (PubChem CID 155225680) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound NameN,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine
PubChem CID155225680
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine
SMILESCC/C=C(\C)C1(C)CC1(C)NC
InChIInChI=1S/C11H21N/c1-6-7-9(2)10(3)8-11(10,4)12-5/h7,12H,6,8H2,1-5H3/b9-7+
InChIKeyXFEZDLMQFYUAAK-VQHVLOKHSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine?
The IUPAC name of N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine (CID 155225680) is N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine.
What is the SMILES notation for N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine?
The canonical SMILES for N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine is CC/C=C(\C)C1(C)CC1(C)NC.
What is the InChIKey of N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine?
The InChIKey is XFEZDLMQFYUAAK-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-9(2)10(3)8-11(10,4)12-5/h7,12H,6,8H2,1-5H3/b9-7+.
What are the key properties of N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine?
N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-2-[(E)-pent-2-en-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 155225680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).