(E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine

C11H20ClN — CID 107900070

IUPAC(E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine
SMILESCC1(C)C(CNC/C=C/Cl)C1(C)C
InChIInChI=1S/C11H20ClN/c1-10(2)9(11(10,3)4)8-13-7-5-6-12/h5-6,9,13H,7-8H2,1-4H3/b6-5+
InChIKeyBVNQCVMGGKGBCR-AATRIKPKSA-N
MW201.74 g/mol
LogP3.01
Rot. Bonds4

About (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine

(E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine (PubChem CID 107900070) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine
PubChem CID107900070
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name(E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine
SMILESCC1(C)C(CNC/C=C/Cl)C1(C)C
InChIInChI=1S/C11H20ClN/c1-10(2)9(11(10,3)4)8-13-7-5-6-12/h5-6,9,13H,7-8H2,1-4H3/b6-5+
InChIKeyBVNQCVMGGKGBCR-AATRIKPKSA-N
XLogP3.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-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 (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine (CID 107900070) is (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine is CC1(C)C(CNC/C=C/Cl)C1(C)C.
What is the InChIKey of (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine?
The InChIKey is BVNQCVMGGKGBCR-AATRIKPKSA-N. The full InChI is InChI=1S/C11H20ClN/c1-10(2)9(11(10,3)4)8-13-7-5-6-12/h5-6,9,13H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine?
(E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine has a molecular weight of 201.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 107900070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).