N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine

C13H30N2 — CID 155616242

IUPACN'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)NCCCN(C(C)C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)14-9-8-10-15(12(3)4)13(5,6)7/h11-12,14H,8-10H2,1-7H3
InChIKeyYQUJCLUCUHNXHP-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds6

About N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine

N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine (PubChem CID 155616242) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine
PubChem CID155616242
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine
SMILESCC(C)NCCCN(C(C)C)C(C)(C)C
InChIInChI=1S/C13H30N2/c1-11(2)14-9-8-10-15(12(3)4)13(5,6)7/h11-12,14H,8-10H2,1-7H3
InChIKeyYQUJCLUCUHNXHP-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 164863364
2-[tert-butyl(propan-2-yl)amino]ethanol
CID 54545866
N-[3-[tert-butyl(propan-2-yl)amino]propyl]-N-methyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 170213540
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
2-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]butane
CID 114138802
5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
4-(propan-2-ylamino)butan-1-ol
CID 12950986
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine (CID 155616242) is N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine is CC(C)NCCCN(C(C)C)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
The InChIKey is YQUJCLUCUHNXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-11(2)14-9-8-10-15(12(3)4)13(5,6)7/h11-12,14H,8-10H2,1-7H3.
What are the key properties of N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine?
N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 155616242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).