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

C10H18ClN5 — CID 107053953

IUPACN-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine
SMILESCn1nnc(CN(CCCl)C2CCCC2)n1
InChIInChI=1S/C10H18ClN5/c1-15-13-10(12-14-15)8-16(7-6-11)9-4-2-3-5-9/h9H,2-8H2,1H3
InChIKeyHGGYOFHFINXDBV-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.19
Rot. Bonds5

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

N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine (PubChem CID 107053953) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine
PubChem CID107053953
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC NameN-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine
SMILESCn1nnc(CN(CCCl)C2CCCC2)n1
InChIInChI=1S/C10H18ClN5/c1-15-13-10(12-14-15)8-16(7-6-11)9-4-2-3-5-9/h9H,2-8H2,1H3
InChIKeyHGGYOFHFINXDBV-UHFFFAOYSA-N
XLogP1.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.19
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]cyclopentanamine 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]cyclopropanamine
CID 107053979
2-[cyclopentyl-[(2-methyltetrazol-5-yl)methyl]amino]ethanol
CID 107052538
N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 107041799
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-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107054065
2-[(2-methyltetrazol-5-yl)methyl]cycloheptan-1-ol
CID 107052325
N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
1-(chloromethyl)-4-methyl-N-[(2-methyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 107054051
1-cyclobutyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107049334
1-cyclopentyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107046907
N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopentanamine
CID 102878812

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine (CID 107053953) is N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine is Cn1nnc(CN(CCCl)C2CCCC2)n1.
What is the InChIKey of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine?
The InChIKey is HGGYOFHFINXDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-15-13-10(12-14-15)8-16(7-6-11)9-4-2-3-5-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine?
N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine has a molecular weight of 243.74 g/mol, XLogP of 1.19, 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]cyclopentanamine is sourced from PubChem (CID 107053953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).