1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine

C15H30N2 — CID 112743289

IUPAC1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)(C1CCC1)C1CCC1
InChIInChI=1S/C15H30N2/c1-3-11-17(4-2)15(12-16,13-7-5-8-13)14-9-6-10-14/h13-14H,3-12,16H2,1-2H3
InChIKeyAUXJTHXXFPZLJD-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.02
Rot. Bonds7

About 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine

1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine (PubChem CID 112743289) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine
PubChem CID112743289
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine
SMILESCCCN(CC)C(CN)(C1CCC1)C1CCC1
InChIInChI=1S/C15H30N2/c1-3-11-17(4-2)15(12-16,13-7-5-8-13)14-9-6-10-14/h13-14H,3-12,16H2,1-2H3
InChIKeyAUXJTHXXFPZLJD-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclopropylmethyl)-2,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 60709914
2-N-(cyclobutylmethyl)-2-N,2-diethylbutane-1,2-diamine
CID 65459394
2-N-(cyclobutylmethyl)-2-N-ethyl-2-methyloctane-1,2-diamine
CID 107397828
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
2-N-cyclopentyl-2-cyclopropyl-2-N-ethylpropane-1,2-diamine
CID 43540936
2-N-cyclopropyl-2-N,2-dipropylpentane-1,2-diamine
CID 43270243
2-N-(cyclopropylmethyl)-2,5-dimethyl-2-N-propylhexane-1,2-diamine
CID 60709986
1-cyclopentyl-1-propylhydrazine
CID 90722270
2-cyclopropyl-2-N-[3-(dimethylamino)propyl]-2-N-ethylbutane-1,2-diamine
CID 102991867
N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79847083
N'-cyclohexyl-N'-propylethane-1,2-diamine
CID 61348599
N-[[cyclopentyl(propyl)amino]disulfanyl]-N-propylcyclopentanamine
CID 130246594

Frequently Asked Questions

What is the IUPAC name of 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine (CID 112743289) is 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine is CCCN(CC)C(CN)(C1CCC1)C1CCC1.
What is the InChIKey of 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine?
The InChIKey is AUXJTHXXFPZLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-11-17(4-2)15(12-16,13-7-5-8-13)14-9-6-10-14/h13-14H,3-12,16H2,1-2H3.
What are the key properties of 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine?
1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(cyclobutyl)-N-ethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 112743289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).