N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine

C14H32N2 — CID 62422187

IUPACN-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-8-9-16(12(2)3)11-13(4)10-15-14(5,6)7/h12-13,15H,8-11H2,1-7H3
InChIKeyLFDJLPXNOFJVHE-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds7

About N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine

N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine (PubChem CID 62422187) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
PubChem CID62422187
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)CNC(C)(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-8-9-16(12(2)3)11-13(4)10-15-14(5,6)7/h12-13,15H,8-11H2,1-7H3
InChIKeyLFDJLPXNOFJVHE-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
3-methoxy-2-methyl-N-propan-2-yl-N-propylpropan-1-amine
CID 144977242
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62428200
(2R)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 103934466
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
1-(methylamino)-3-[propan-2-yl(propyl)amino]propan-2-ol
CID 43269476
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62429784
N-butan-2-yl-2-methyl-N-propylbutan-1-amine
CID 176917771
N-(2-ethylsulfonylpropyl)-2-methylpropan-2-amine
CID 106512791
1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine (CID 62422187) is N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine is CCCN(CC(C)CNC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
The InChIKey is LFDJLPXNOFJVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-8-9-16(12(2)3)11-13(4)10-15-14(5,6)7/h12-13,15H,8-11H2,1-7H3.
What are the key properties of N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine?
N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62422187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).