N,N'-di(propan-2-yl)butane-1,4-diamine

C10H24N2 — CID 26326

IUPACN,N'-di(propan-2-yl)butane-1,4-diamine
SMILESCC(C)NCCCCNC(C)C
InChIInChI=1S/C10H24N2/c1-9(2)11-7-5-6-8-12-10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyPFCQQCMITOUWRV-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.76
Rot. Bonds7

About N,N'-di(propan-2-yl)butane-1,4-diamine

N,N'-di(propan-2-yl)butane-1,4-diamine (PubChem CID 26326) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)butane-1,4-diamine
PubChem CID26326
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN,N'-di(propan-2-yl)butane-1,4-diamine
SMILESCC(C)NCCCCNC(C)C
InChIInChI=1S/C10H24N2/c1-9(2)11-7-5-6-8-12-10(3)4/h9-12H,5-8H2,1-4H3
InChIKeyPFCQQCMITOUWRV-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-di(propan-2-yl)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

Dibutylamine
CID 8148
N1-(4-Aminobutyl)-1,4-butanediamine
CID 368
Novoldiamine
CID 78953
DI-Sec-butylamine
CID 12277
N,N'-Diisopropylethylenediamine
CID 77628
Aminobutylhomospermidine
CID 6452022
Dibutylamine hydrochloride
CID 3083954
N,N'-Diisopropyl-1,3-propanediamine
CID 144018
1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
N-Isopropylpropane-1,3-diamine
CID 76888
N,N'-Dimethylputrescine
CID 85238
N-Propylbutylamine
CID 88399

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)butane-1,4-diamine?
The IUPAC name of N,N'-di(propan-2-yl)butane-1,4-diamine (CID 26326) is N,N'-di(propan-2-yl)butane-1,4-diamine.
What is the SMILES notation for N,N'-di(propan-2-yl)butane-1,4-diamine?
The canonical SMILES for N,N'-di(propan-2-yl)butane-1,4-diamine is CC(C)NCCCCNC(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)butane-1,4-diamine?
The InChIKey is PFCQQCMITOUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-9(2)11-7-5-6-8-12-10(3)4/h9-12H,5-8H2,1-4H3.
What are the key properties of N,N'-di(propan-2-yl)butane-1,4-diamine?
N,N'-di(propan-2-yl)butane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 26326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).