1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine

C16H34N2 — CID 78989943

IUPAC1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CCC(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-7-14(12-17-16(4,5)6)18(15-8-9-15)11-10-13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyLKLHZQLCFJMLBH-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.66
Rot. Bonds8

About 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine

1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine (PubChem CID 78989943) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
PubChem CID78989943
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CCC(C)C)C1CC1
InChIInChI=1S/C16H34N2/c1-7-14(12-17-16(4,5)6)18(15-8-9-15)11-10-13(2)3/h13-15,17H,7-12H2,1-6H3
InChIKeyLKLHZQLCFJMLBH-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine (CID 78989943) is 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine is CCC(CNC(C)(C)C)N(CCC(C)C)C1CC1.
What is the InChIKey of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The InChIKey is LKLHZQLCFJMLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-14(12-17-16(4,5)6)18(15-8-9-15)11-10-13(2)3/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.66, 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-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 78989943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).