N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine

C12H29N3 — CID 107445595

IUPACN'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCNC(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2)15(6)10-9-13-7-8-14-12(3,4)5/h11,13-14H,7-10H2,1-6H3
InChIKeyYDEWPIMLZZHUSB-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.30
Rot. Bonds7

About N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine

N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine (PubChem CID 107445595) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
PubChem CID107445595
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
SMILESCC(C)N(C)CCNCCNC(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2)15(6)10-9-13-7-8-14-12(3,4)5/h11,13-14H,7-10H2,1-6H3
InChIKeyYDEWPIMLZZHUSB-UHFFFAOYSA-N
XLogP1.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-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-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635072
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
2-methyl-1-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62639944
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
N'-methyl-N'-propan-2-yl-N-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 62641029
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439
tert-butyl 3-[2-[methyl(propan-2-yl)amino]ethylamino]propanoate
CID 103249343
N-[2-[2-[2-[di(propan-2-yl)amino]ethylamino]ethyl-propan-2-ylamino]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 165403745
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N'-methyl-N'-propan-2-yl-N-(trifluoromethoxymethyl)ethane-1,2-diamine
CID 176601179

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine (CID 107445595) is N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine is CC(C)N(C)CCNCCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is YDEWPIMLZZHUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-11(2)15(6)10-9-13-7-8-14-12(3,4)5/h11,13-14H,7-10H2,1-6H3.
What are the key properties of N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine?
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 107445595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).