1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine

C16H36N2 — CID 62428200

IUPAC1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-9-15(10-17-16(6,7)8)18(11-13(2)3)12-14(4)5/h13-15,17H,9-12H2,1-8H3
InChIKeyKZQHXLNPLCWSKG-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.77
Rot. Bonds8

About 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine

1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine (PubChem CID 62428200) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
PubChem CID62428200
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CC(C)C)CC(C)C
InChIInChI=1S/C16H36N2/c1-9-15(10-17-16(6,7)8)18(11-13(2)3)12-14(4)5/h13-15,17H,9-12H2,1-8H3
InChIKeyKZQHXLNPLCWSKG-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-ethyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62422722
1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62427690
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 78989943
N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62422187
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-3-methyl-2-N-(2-methylpropyl)butane-1,2-diamine
CID 62426633
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine (CID 62428200) is 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine is CCC(CNC(C)(C)C)N(CC(C)C)CC(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine?
The InChIKey is KZQHXLNPLCWSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-9-15(10-17-16(6,7)8)18(11-13(2)3)12-14(4)5/h13-15,17H,9-12H2,1-8H3.
What are the key properties of 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine?
1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N,2-N-bis(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 62428200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).