N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine

C11H18ClN3 — CID 83063008

IUPACN-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine
SMILESCc1nccnc1NC(CCl)CC(C)C
InChIInChI=1S/C11H18ClN3/c1-8(2)6-10(7-12)15-11-9(3)13-4-5-14-11/h4-5,8,10H,6-7H2,1-3H3,(H,14,15)
InChIKeyRCBAICPZDIHVRX-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.85
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine

N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine (PubChem CID 83063008) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine
PubChem CID83063008
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine
SMILESCc1nccnc1NC(CCl)CC(C)C
InChIInChI=1S/C11H18ClN3/c1-8(2)6-10(7-12)15-11-9(3)13-4-5-14-11/h4-5,8,10H,6-7H2,1-3H3,(H,14,15)
InChIKeyRCBAICPZDIHVRX-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dimethyl-N-pentan-3-ylpyrazin-2-amine
CID 22248917
3-ethyl-N-pentan-3-ylpyrazin-2-amine
CID 23068427
6-Methyl-N-(pentan-3-yl)pyrazin-2-amine
CID 45099732
1-N-ethyl-3-fluoro-3-methyl-2-N-(6-methylpyrazin-2-yl)butane-1,2-diamine
CID 90783630
3-chloro-N-[(1S,2S)-2-methylcyclopentyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 118438539
N-(2-chloroethyl)-3-(difluoromethyl)pyrazin-2-amine
CID 130571050
N-(2-chloropropyl)-3-(difluoromethyl)pyrazin-2-amine
CID 130571051
N-[1-(chloromethyl)cyclopropyl]-3-(difluoromethyl)pyrazin-2-amine
CID 130571055
N-(3-chlorobutan-2-yl)-3-(difluoromethyl)pyrazin-2-amine
CID 131162937
N-[(1S,2S)-2-aminochloranuidylcyclopentyl]-3-methyl-5-(trifluoromethyl)pyrazin-2-amine
CID 140692931
N-(4-methylpentyl)-5-propan-2-ylpyrazin-2-amine
CID 22891615
N-butyl-3-methylpyrazin-2-amine
CID 59049776

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine (CID 83063008) is N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine is Cc1nccnc1NC(CCl)CC(C)C.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine?
The InChIKey is RCBAICPZDIHVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8(2)6-10(7-12)15-11-9(3)13-4-5-14-11/h4-5,8,10H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine?
N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine has a molecular weight of 227.74 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)-3-methylpyrazin-2-amine is sourced from PubChem (CID 83063008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).