N,N'-diethyl-N'-pentan-2-ylmethanediamine

C10H24N2 — CID 156888223

IUPACN,N'-diethyl-N'-pentan-2-ylmethanediamine
SMILESCCCC(C)N(CC)CNCC
InChIInChI=1S/C10H24N2/c1-5-8-10(4)12(7-3)9-11-6-2/h10-11H,5-9H2,1-4H3
InChIKeyJZXLAUQFRXCJLY-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.06
Rot. Bonds7

About N,N'-diethyl-N'-pentan-2-ylmethanediamine

N,N'-diethyl-N'-pentan-2-ylmethanediamine (PubChem CID 156888223) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N,N'-diethyl-N'-pentan-2-ylmethanediamine.

Molecular Properties

Compound NameN,N'-diethyl-N'-pentan-2-ylmethanediamine
PubChem CID156888223
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN,N'-diethyl-N'-pentan-2-ylmethanediamine
SMILESCCCC(C)N(CC)CNCC
InChIInChI=1S/C10H24N2/c1-5-8-10(4)12(7-3)9-11-6-2/h10-11H,5-9H2,1-4H3
InChIKeyJZXLAUQFRXCJLY-UHFFFAOYSA-N
XLogP2.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N,N'-diethyl-N'-pentan-2-ylmethanediamine 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

1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
3-N-butyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62425173
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
N-(2-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720
N-(3-bromopropyl)-N-ethylpentan-2-amine
CID 107887563
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
1-N,1-N,1-N',1-N'-tetraethylbutane-1,1-diamine
CID 87994889

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-N'-pentan-2-ylmethanediamine?
The IUPAC name of N,N'-diethyl-N'-pentan-2-ylmethanediamine (CID 156888223) is N,N'-diethyl-N'-pentan-2-ylmethanediamine.
What is the SMILES notation for N,N'-diethyl-N'-pentan-2-ylmethanediamine?
The canonical SMILES for N,N'-diethyl-N'-pentan-2-ylmethanediamine is CCCC(C)N(CC)CNCC.
What is the InChIKey of N,N'-diethyl-N'-pentan-2-ylmethanediamine?
The InChIKey is JZXLAUQFRXCJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-8-10(4)12(7-3)9-11-6-2/h10-11H,5-9H2,1-4H3.
What are the key properties of N,N'-diethyl-N'-pentan-2-ylmethanediamine?
N,N'-diethyl-N'-pentan-2-ylmethanediamine has a molecular weight of 172.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-N'-pentan-2-ylmethanediamine is sourced from PubChem (CID 156888223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).