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

C15H32N2 — CID 78989879

IUPAC1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCN(C(C)CNC(C)(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-12(2)9-10-17(14-7-8-14)13(3)11-16-15(4,5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyQVZKIHOHGCCSCZ-UHFFFAOYSA-N
MW240.44 g/mol
LogP3.27
Rot. Bonds7

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

1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine (PubChem CID 78989879) has the molecular formula C15H32N2 and a molecular weight of 240.44 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
PubChem CID78989879
Molecular FormulaC15H32N2
Molecular Weight240.44 g/mol
Exact Mass240.26
IUPAC Name1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine
SMILESCC(C)CCN(C(C)CNC(C)(C)C)C1CC1
InChIInChI=1S/C15H32N2/c1-12(2)9-10-17(14-7-8-14)13(3)11-16-15(4,5)6/h12-14,16H,7-11H2,1-6H3
InChIKeyQVZKIHOHGCCSCZ-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
CID 78989943
1-N-tert-butyl-2-N-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 62422950
2-N-cyclopropyl-1-N,2-N-bis(3-methylbutyl)propane-1,2-diamine
CID 78991146
2-N-cyclopropyl-2-N-(3-methylbutyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 78991141
methyl 4-[cyclopropyl(3-methylbutyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 78998497
4-[cyclopropyl(3-methylbutyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 78998498
3-N-cyclopropyl-2,2-dimethyl-3-N-(3-methylbutyl)hexane-3,4-diamine
CID 78974732
1-N-tert-butyl-2-N-cyclopropyl-2-N-(cyclopropylmethyl)pentane-1,2-diamine
CID 83054704
methyl 2-[cyclopropyl(3-methylbutyl)amino]propanoate
CID 78976556
2-N-cyclopropyl-2-N-ethyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62570622
1-N-tert-butyl-2-N-cyclopropyl-2-N-prop-2-enylpentane-1,2-diamine
CID 83044416
2-[cyclopropyl(3-methylbutyl)amino]butanenitrile
CID 78975307

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine (CID 78989879) is 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine is CC(C)CCN(C(C)CNC(C)(C)C)C1CC1.
What is the InChIKey of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine?
The InChIKey is QVZKIHOHGCCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-12(2)9-10-17(14-7-8-14)13(3)11-16-15(4,5)6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine?
1-N-tert-butyl-2-N-cyclopropyl-2-N-(3-methylbutyl)propane-1,2-diamine has a molecular weight of 240.44 g/mol, XLogP of 3.27, 7 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)propane-1,2-diamine is sourced from PubChem (CID 78989879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).