N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine

C13H23ClN4 — CID 114223433

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCC1CCCCC1CCl
InChIInChI=1S/C13H23ClN4/c1-2-7-18-13(10-16-17-18)15-9-12-6-4-3-5-11(12)8-14/h10-12,15H,2-9H2,1H3
InChIKeyFJMMOSGURZATES-UHFFFAOYSA-N
MW270.81 g/mol
LogP3.15
Rot. Bonds6

About N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine

N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine (PubChem CID 114223433) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
PubChem CID114223433
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
SMILESCCCn1nncc1NCC1CCCCC1CCl
InChIInChI=1S/C13H23ClN4/c1-2-7-18-13(10-16-17-18)15-9-12-6-4-3-5-11(12)8-14/h10-12,15H,2-9H2,1H3
InChIKeyFJMMOSGURZATES-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
N-[(4-ethylmorpholin-2-yl)methyl]-3-propyltriazol-4-amine
CID 114222859
N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine
CID 130487095
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846
1-[2-(chloromethyl)cyclohexyl]-N-[(1-methyltriazol-4-yl)methyl]methanamine
CID 107054064
N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide
CID 114222897
1-[2-(chloromethyl)cyclohexyl]-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107054065
cyclopentyl-(3-propyltriazol-4-yl)methanol
CID 114684940
2-(chloromethyl)-N-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 106364982
N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386425

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine (CID 114223433) is N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine is CCCn1nncc1NCC1CCCCC1CCl.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine?
The InChIKey is FJMMOSGURZATES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-2-7-18-13(10-16-17-18)15-9-12-6-4-3-5-11(12)8-14/h10-12,15H,2-9H2,1H3.
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine?
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine has a molecular weight of 270.81 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine is sourced from PubChem (CID 114223433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).