N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine

C14H24ClN3O — CID 106117265

IUPACN-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCCCC(CCCl)CNc1cncc(OC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-4-5-12(6-7-15)8-17-13-9-16-10-14(18-13)19-11(2)3/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyOHQYBSMZDCHIOX-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.72
Rot. Bonds9

About N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine

N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 106117265) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
PubChem CID106117265
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCCCC(CCCl)CNc1cncc(OC(C)C)n1
InChIInChI=1S/C14H24ClN3O/c1-4-5-12(6-7-15)8-17-13-9-16-10-14(18-13)19-11(2)3/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyOHQYBSMZDCHIOX-UHFFFAOYSA-N
XLogP3.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine 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

3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788
N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
CID 65027123
N-(1-chloro-3-methylpentan-3-yl)-6-propan-2-yloxypyrazin-2-amine
CID 106167669
6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
CID 65226992
2-ethyl-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,2-diamine
CID 115306323
(1S)-2-[(6-propan-2-yloxypyrazin-2-yl)amino]-1-pyridin-4-ylethanol
CID 99621227
5-chloro-N-[2-(2-chloroethyl)pentyl]pyridin-2-amine
CID 106117269
2-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butanoic acid
CID 80539579
N-[2-(2-chloroethyl)pentyl]-2-methylpyrimidin-4-amine
CID 106117297
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
4-methoxy-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,3-diamine
CID 106244415

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine (CID 106117265) is N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine is CCCC(CCCl)CNc1cncc(OC(C)C)n1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is OHQYBSMZDCHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-4-5-12(6-7-15)8-17-13-9-16-10-14(18-13)19-11(2)3/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine?
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 285.82 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 106117265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).