N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine

C11H18ClN3 — CID 106154444

IUPACN-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCCCC(C)CCl)c1
InChIInChI=1S/C11H18ClN3/c1-9(7-12)4-3-5-13-11-6-10(2)8-14-15-11/h6,8-9H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyNDKLSMNQRGMAKF-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.85
Rot. Bonds6

About N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine

N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine (PubChem CID 106154444) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
PubChem CID106154444
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC NameN-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine
SMILESCc1cnnc(NCCCC(C)CCl)c1
InChIInChI=1S/C11H18ClN3/c1-9(7-12)4-3-5-13-11-6-10(2)8-14-15-11/h6,8-9H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyNDKLSMNQRGMAKF-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[(5-methylpyridazin-3-yl)amino]pentan-2-ol
CID 106128597
N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106549356
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
N,2-dimethyl-N'-(5-methylpyridazin-3-yl)propane-1,3-diamine
CID 106550243
N'-(5-methylpyridazin-3-yl)pentane-1,5-diamine
CID 107323443
N'-(5-methylpyridazin-3-yl)hexane-1,6-diamine
CID 107845062
5-methyl-N-pent-4-ynylpyridazin-3-amine
CID 106222465
5-methyl-N-(3-propoxypropyl)pyridazin-3-amine
CID 106549900
3-[(5-methylpyridazin-3-yl)amino]propane-1-sulfonamide
CID 106549682
N-(5-chloro-4-methylpentyl)-1,3,4-thiadiazol-2-amine
CID 106154566
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
N-but-3-ynyl-5-methylpyridazin-3-amine
CID 106549778

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine?
The IUPAC name of N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine (CID 106154444) is N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine is Cc1cnnc(NCCCC(C)CCl)c1.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine?
The InChIKey is NDKLSMNQRGMAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-9(7-12)4-3-5-13-11-6-10(2)8-14-15-11/h6,8-9H,3-5,7H2,1-2H3,(H,13,15).
What are the key properties of N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine?
N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine has a molecular weight of 227.74 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-5-methylpyridazin-3-amine is sourced from PubChem (CID 106154444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).