N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C16H34N2 — CID 62260416

IUPACN-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CC(C)(C)CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-13(2)10-18(14-8-9-14)12-16(6,7)11-17-15(3,4)5/h13-14,17H,8-12H2,1-7H3
InChIKeyFALJVMZMWUTNTJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds7

About N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62260416) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62260416
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(CC(C)(C)CNC(C)(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-13(2)10-18(14-8-9-14)12-16(6,7)11-17-15(3,4)5/h13-14,17H,8-12H2,1-7H3
InChIKeyFALJVMZMWUTNTJ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclohexylamino]ethanol
CID 62258926
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
3-[[3-(tert-butylamino)-2,2-dimethylpropyl]-cyclobutylamino]propan-1-ol
CID 102870871
N-cyclopropyl-2,2-diethyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62260593
3-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827129
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 62260568
2-[[cyclopropyl(2-methylpropyl)amino]methyl]-2-ethylbutanal
CID 62276803
ethyl 2-cyclopropyl-3-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)propanoate
CID 63911546
N-tert-butyl-N'-cyclopropyl-2-ethyl-2-methyl-N'-propylpropane-1,3-diamine
CID 62263510
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylbutan-1-ol
CID 64826138
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62258323
2-(tert-butylamino)-N-cyclopentyl-N-(2-methylpropyl)acetamide
CID 112727507

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62260416) is N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CN(CC(C)(C)CNC(C)(C)C)C1CC1.
What is the InChIKey of N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is FALJVMZMWUTNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-13(2)10-18(14-8-9-14)12-16(6,7)11-17-15(3,4)5/h13-14,17H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-cyclopropyl-2,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62260416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).