2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine

C15H30N2 — CID 79001491

IUPAC2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(CCC(C)C)C1CC1
InChIInChI=1S/C15H30N2/c1-4-15(11-16,13-5-6-13)17(14-7-8-14)10-9-12(2)3/h12-14H,4-11,16H2,1-3H3
InChIKeyWAAKJXKEHDPTHD-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.01
Rot. Bonds8

About 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine

2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine (PubChem CID 79001491) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
PubChem CID79001491
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine
SMILESCCC(CN)(C1CC1)N(CCC(C)C)C1CC1
InChIInChI=1S/C15H30N2/c1-4-15(11-16,13-5-6-13)17(14-7-8-14)10-9-12(2)3/h12-14H,4-11,16H2,1-3H3
InChIKeyWAAKJXKEHDPTHD-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-cyclopropyl-2,5-dimethyl-2-N-(3-methylbutyl)hexane-1,2-diamine
CID 78974063
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)heptane-1,2-diamine
CID 80558361
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 78944020
2-cyclopropyl-2-N-methyl-2-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 64917822
2-N-cyclopropyl-2-methyl-2-N-(3-methylbutyl)-4-phenylbutane-1,2-diamine
CID 78973586
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)-2-propylpropane-1,3-diamine
CID 78987321
2-N-cyclopentyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43540970
2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine
CID 102991867
1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 64818466
2-N-cyclohexyl-2-N-ethyl-2,5-dimethylhexane-1,2-diamine
CID 43409655
N'-cyclopropyl-2,2-dimethyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 79005112
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The IUPAC name of 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine (CID 79001491) is 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine is CCC(CN)(C1CC1)N(CCC(C)C)C1CC1.
What is the InChIKey of 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
The InChIKey is WAAKJXKEHDPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-15(11-16,13-5-6-13)17(14-7-8-14)10-9-12(2)3/h12-14H,4-11,16H2,1-3H3.
What are the key properties of 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine?
2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dicyclopropyl-2-N-(3-methylbutyl)butane-1,2-diamine is sourced from PubChem (CID 79001491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).