N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine

C13H24N4 — CID 62762910

IUPACN'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
SMILESCC(C)N(C)CCCCNCc1cnccn1
InChIInChI=1S/C13H24N4/c1-12(2)17(3)9-5-4-6-14-10-13-11-15-7-8-16-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyKNHBFQHYNMGXJO-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.69
Rot. Bonds8

About N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine

N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine (PubChem CID 62762910) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
PubChem CID62762910
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
SMILESCC(C)N(C)CCCCNCc1cnccn1
InChIInChI=1S/C13H24N4/c1-12(2)17(3)9-5-4-6-14-10-13-11-15-7-8-16-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyKNHBFQHYNMGXJO-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine 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

N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 83960493
4-propan-2-yloxy-N-(pyrazin-2-ylmethyl)butan-1-amine
CID 106007760
6-(pyrazin-2-ylmethylamino)hexan-1-ol
CID 103846289
N'-methyl-N'-phenyl-N-(pyrazin-2-ylmethyl)propane-1,3-diamine
CID 62763220
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
3-methylsulfanyl-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 63983825
N-[(3-chloro-4-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045751
N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 63001825
N-(isoquinolin-5-ylmethyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62823909
3-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]pyridine-2-carbonitrile
CID 62893892
N,N-dimethyl-3-(pyrazin-2-ylmethylamino)propanamide
CID 62762015

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine (CID 62762910) is N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine is CC(C)N(C)CCCCNCc1cnccn1.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
The InChIKey is KNHBFQHYNMGXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-12(2)17(3)9-5-4-6-14-10-13-11-15-7-8-16-13/h7-8,11-12,14H,4-6,9-10H2,1-3H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine?
N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine is sourced from PubChem (CID 62762910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).