N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine

C14H18ClN5 — CID 63388458

IUPACN-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
SMILESClCCN(c1nnnn1-c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18ClN5/c15-10-11-19(12-6-4-5-7-12)14-16-17-18-20(14)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyIJNNYFJSMSKIDN-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.65
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine

N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine (PubChem CID 63388458) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
PubChem CID63388458
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
SMILESClCCN(c1nnnn1-c1ccccc1)C1CCCC1
InChIInChI=1S/C14H18ClN5/c15-10-11-19(12-6-4-5-7-12)14-16-17-18-20(14)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2
InChIKeyIJNNYFJSMSKIDN-UHFFFAOYSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.65
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

3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
CID 76911864
N-(2-chloroethyl)-N-ethyl-1-phenyltetrazol-5-amine
CID 63392081
N-(2-chloroethyl)-N-cyclohexyl-1-methyltetrazol-5-amine
CID 63388651
N-(2-chloroethyl)-1-phenyl-N-propyltetrazol-5-amine
CID 55184250
N-(2-chlorocyclohexyl)-N-methyl-1-phenyltetrazol-5-amine
CID 102637752
ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
CID 62006681
2-[methyl-(1-phenyltetrazol-5-yl)amino]cyclohexan-1-ol
CID 102636016
2-(2-chloroethyl)-1-(1-phenyltetrazol-5-yl)piperidine
CID 63392298
1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79118869
2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
CID 43656375
5-[2-(chloromethyl)pyrrolidin-1-yl]-1-phenyltetrazole
CID 63389979
N'-methyl-N'-(1-phenyltetrazol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 55090772

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine (CID 63388458) is N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine is ClCCN(c1nnnn1-c1ccccc1)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine?
The InChIKey is IJNNYFJSMSKIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-10-11-19(12-6-4-5-7-12)14-16-17-18-20(14)13-8-2-1-3-9-13/h1-3,8-9,12H,4-7,10-11H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine?
N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine has a molecular weight of 291.79 g/mol, XLogP of 2.65, 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-cyclopentyl-1-phenyltetrazol-5-amine is sourced from PubChem (CID 63388458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).