N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine

C8H14ClN5 — CID 107053979

IUPACN-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine
SMILESCn1nnc(CN(CCCl)C2CC2)n1
InChIInChI=1S/C8H14ClN5/c1-13-11-8(10-12-13)6-14(5-4-9)7-2-3-7/h7H,2-6H2,1H3
InChIKeyYEHNRNQHBLPGCB-UHFFFAOYSA-N
MW215.69 g/mol
LogP0.41
Rot. Bonds5

About N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine

N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine (PubChem CID 107053979) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine
PubChem CID107053979
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC NameN-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine
SMILESCn1nnc(CN(CCCl)C2CC2)n1
InChIInChI=1S/C8H14ClN5/c1-13-11-8(10-12-13)6-14(5-4-9)7-2-3-7/h7H,2-6H2,1H3
InChIKeyYEHNRNQHBLPGCB-UHFFFAOYSA-N
XLogP0.41
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine
CID 107053953
N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 107041799
2-[cyclopentyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052538
3-[cyclopropyl-[(2-methyltetrazol-5-yl)methyl]amino]propanethioamide
CID 107042942
2-chloro-N-cyclooctyl-N-[(2-methyltetrazol-5-yl)methyl]acetamide
CID 154879431
1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107054065
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79260720
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
N,N-dimethyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 910865
1-(chloromethyl)-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054049
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-amine
CID 107042493

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine (CID 107053979) is N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine is Cn1nnc(CN(CCCl)C2CC2)n1.
What is the InChIKey of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine?
The InChIKey is YEHNRNQHBLPGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-13-11-8(10-12-13)6-14(5-4-9)7-2-3-7/h7H,2-6H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine?
N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine has a molecular weight of 215.69 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 107053979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).