N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine

C10H18ClN5 — CID 63388651

IUPACN-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine
SMILESCn1nnnc1N(CCCl)C1CCCCC1
InChIInChI=1S/C10H18ClN5/c1-15-10(12-13-14-15)16(8-7-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyKNAZGCGPCPDWIG-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.59
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine

N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine (PubChem CID 63388651) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine
PubChem CID63388651
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine
SMILESCn1nnnc1N(CCCl)C1CCCCC1
InChIInChI=1S/C10H18ClN5/c1-15-10(12-13-14-15)16(8-7-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyKNAZGCGPCPDWIG-UHFFFAOYSA-N
XLogP1.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptyl-N'-(1-methyltetrazol-5-yl)propane-1,3-diamine
CID 63152591
N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
CID 63388458
4-N-ethyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79111618
N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine
CID 63149802
4-N-methyl-4-N-(1-methyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79121106
N-(2-chloroethyl)-N-cyclohexyl-4-methylphthalazin-1-amine
CID 63388318
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880
5-chloro-N-(2-chloroethyl)-N-cyclohexyl-3-fluoropyridin-2-amine
CID 79734463
N-(2-chloroethyl)-N-cyclopentyl-3-methylquinolin-2-amine
CID 63388883
N-(2-chloroethyl)-N-cyclohexyl-5-methylpyridin-2-amine
CID 63388277
N-(2-chloroethyl)-N-cyclohexyl-4-methyl-1,3-thiazol-2-amine
CID 63388279
N-(2-chloroethyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclopentanamine
CID 107053953

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine (CID 63388651) is N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine is Cn1nnnc1N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine?
The InChIKey is KNAZGCGPCPDWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-15-10(12-13-14-15)16(8-7-11)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine?
N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine has a molecular weight of 243.74 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine is sourced from PubChem (CID 63388651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).