1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane

C31H68N2 — CID 160559312

IUPAC1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane
SMILESCCCCCCCCCC(C)(C)C.CCCCCCCCCC(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C18H40N2.C13H28/c1-8-9-10-11-12-13-14-15-16(19-17(2,3)4)20-18(5,6)7;1-5-6-7-8-9-10-11-12-13(2,3)4/h16,19-20H,8-15H2,1-7H3;5-12H2,1-4H3
InChIKeyQZCDLXIDJSPNIN-UHFFFAOYSA-N
MW468.90 g/mol
LogP10.40
Rot. Bonds17

About 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane

1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane (PubChem CID 160559312) has the molecular formula C31H68N2 and a molecular weight of 468.90 g/mol. Its IUPAC name is 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane.

Molecular Properties

Compound Name1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane
PubChem CID160559312
Molecular FormulaC31H68N2
Molecular Weight468.90 g/mol
Exact Mass468.54
IUPAC Name1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane
SMILESCCCCCCCCCC(C)(C)C.CCCCCCCCCC(NC(C)(C)C)NC(C)(C)C
InChIInChI=1S/C18H40N2.C13H28/c1-8-9-10-11-12-13-14-15-16(19-17(2,3)4)20-18(5,6)7;1-5-6-7-8-9-10-11-12-13(2,3)4/h16,19-20H,8-15H2,1-7H3;5-12H2,1-4H3
InChIKeyQZCDLXIDJSPNIN-UHFFFAOYSA-N
XLogP10.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.90
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane 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

2,2,22,22-tetramethyl-12-nonyltricosane
CID 150859167
azane;2,2-dimethylundecane
CID 172735807
2,2-dimethylundecane;hydrobromide
CID 172814192
2,2-dimethylnonane;fluoromethane
CID 158057771
2,2-dimethyldodecan-6-ol
CID 175569881
2,2-dimethylnonadecane;oxosilane
CID 158610214
2,2,7-trimethylundecane
CID 57491501
18,18-dimethyl-N-octadecylnonadecan-1-amine
CID 154404952
(5S)-N-tert-butyl-2,2-dimethylnonan-5-amine
CID 163425790
dichlorozinc;2,2-dimethyloctane
CID 174281549
2,2,5-trimethyldodecane
CID 54169953
N-(12,12-dimethyltridecyl)hexadecan-1-amine;hydrobromide
CID 174728206

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane?
The IUPAC name of 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane (CID 160559312) is 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane.
What is the SMILES notation for 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane?
The canonical SMILES for 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane is CCCCCCCCCC(C)(C)C.CCCCCCCCCC(NC(C)(C)C)NC(C)(C)C.
What is the InChIKey of 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane?
The InChIKey is QZCDLXIDJSPNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2.C13H28/c1-8-9-10-11-12-13-14-15-16(19-17(2,3)4)20-18(5,6)7;1-5-6-7-8-9-10-11-12-13(2,3)4/h16,19-20H,8-15H2,1-7H3;5-12H2,1-4H3.
What are the key properties of 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane?
1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane has a molecular weight of 468.90 g/mol, XLogP of 10.40, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-ditert-butyldecane-1,1-diamine;2,2-dimethylundecane is sourced from PubChem (CID 160559312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).