N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine

C13H26N4 — CID 107207255

IUPACN'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine
SMILESCCn1nc(C)cc1CN(C)CCCCCN
InChIInChI=1S/C13H26N4/c1-4-17-13(10-12(2)15-17)11-16(3)9-7-5-6-8-14/h10H,4-9,11,14H2,1-3H3
InChIKeyGFBDUVAJLAGCEW-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.77
Rot. Bonds8

About N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine

N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine (PubChem CID 107207255) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine
PubChem CID107207255
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine
SMILESCCn1nc(C)cc1CN(C)CCCCCN
InChIInChI=1S/C13H26N4/c1-4-17-13(10-12(2)15-17)11-16(3)9-7-5-6-8-14/h10H,4-9,11,14H2,1-3H3
InChIKeyGFBDUVAJLAGCEW-UHFFFAOYSA-N
XLogP1.77
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 107206783
ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol
CID 169135386
5-[(2,5-dimethylpyrazol-3-yl)methyl-methylamino]pentan-1-ol
CID 107203759
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
5-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-2-(methoxymethyl)pentan-2-ol
CID 103391462
2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide
CID 77125317
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
CID 103447537
N'-methyl-N'-[(3-methylphenyl)methyl]hexane-1,6-diamine
CID 61411443
2-(aminomethyl)-3-(2-ethyl-5-methylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487287
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062269

Frequently Asked Questions

What is the IUPAC name of N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine?
The IUPAC name of N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine (CID 107207255) is N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine.
What is the SMILES notation for N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine?
The canonical SMILES for N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine is CCn1nc(C)cc1CN(C)CCCCCN.
What is the InChIKey of N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine?
The InChIKey is GFBDUVAJLAGCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-17-13(10-12(2)15-17)11-16(3)9-7-5-6-8-14/h10H,4-9,11,14H2,1-3H3.
What are the key properties of N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine?
N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine is sourced from PubChem (CID 107207255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).