1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine

C10H24N2 — CID 118103019

IUPAC1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine
SMILESCNC(NCC(C)C)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(2)7-12-9(11-6)10(3,4)5/h8-9,11-12H,7H2,1-6H3
InChIKeyWZHHTNJTVZCKIC-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.82
Rot. Bonds4

About 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine

1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine (PubChem CID 118103019) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine
PubChem CID118103019
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine
SMILESCNC(NCC(C)C)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-8(2)7-12-9(11-6)10(3,4)5/h8-9,11-12H,7H2,1-6H3
InChIKeyWZHHTNJTVZCKIC-UHFFFAOYSA-N
XLogP1.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-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

(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
CID 88581583
(2R)-1-N,3-dimethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 166718424
(2S)-1-N-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 58015292
2-methyl-4-N-(2-methylpropyl)pentane-2,4-diamine
CID 88754730
N,2-dimethyl-2-(methylaminomethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 90693436
1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
CID 115876449
1-N'-(2-methylpropyl)ethane-1,1-diamine
CID 90182021
(1S)-1-(2-methylpropylamino)ethanethiol
CID 168900997
2,2,3,3-tetramethyl-N-(2-methylpropyl)butan-1-amine
CID 138647776
3-methyl-1-N,1-N'-bis(2-methylpropyl)butane-1,1-diamine
CID 160646348
1-N-methyl-1-N'-(2-methylpropyl)-2,7-diphenyl-2-propan-2-ylheptane-1,1-diamine;dihydrochloride
CID 88712281
N-ethyl-2,4,4-trimethylhexan-3-amine
CID 114978547

Frequently Asked Questions

What is the IUPAC name of 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine?
The IUPAC name of 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine (CID 118103019) is 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine.
What is the SMILES notation for 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine?
The canonical SMILES for 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine is CNC(NCC(C)C)C(C)(C)C.
What is the InChIKey of 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine?
The InChIKey is WZHHTNJTVZCKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-8(2)7-12-9(11-6)10(3,4)5/h8-9,11-12H,7H2,1-6H3.
What are the key properties of 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine?
1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2,2-trimethyl-1-N'-(2-methylpropyl)propane-1,1-diamine is sourced from PubChem (CID 118103019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).