N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine

C13H28N2 — CID 63914297

IUPACN'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
SMILESCCNC(CN(CC)C(C)CC)C1CC1
InChIInChI=1S/C13H28N2/c1-5-11(4)15(7-3)10-13(14-6-2)12-8-9-12/h11-14H,5-10H2,1-4H3
InChIKeyYUVQKXOBWNMSLJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds8

About N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine

N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine (PubChem CID 63914297) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
PubChem CID63914297
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
SMILESCCNC(CN(CC)C(C)CC)C1CC1
InChIInChI=1S/C13H28N2/c1-5-11(4)15(7-3)10-13(14-6-2)12-8-9-12/h11-14H,5-10H2,1-4H3
InChIKeyYUVQKXOBWNMSLJ-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N,N'-diethyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 104744742
1-cyclopentyl-N,N'-diethyl-N'-propan-2-ylethane-1,2-diamine
CID 104744640
1-cyclohexyl-N-ethyl-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 113448017
1-cyclopropyl-N-ethyl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63913206
1-cyclohexyl-N-ethyl-N'-(2-methylpropyl)-N'-pentan-3-ylethane-1,2-diamine
CID 104746704
1-cyclopropyl-N-ethyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869640
N'-cyclohexyl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine
CID 63912315
1-cyclohexyl-N,N'-diethyl-N'-methylethane-1,2-diamine
CID 104744599
1-cyclopropyl-N'-(cyclopropylmethyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 63913659
N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 79092545
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
3-[butan-2-yl(ethyl)amino]-2-(ethylamino)propan-1-ol
CID 64796148

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine (CID 63914297) is N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine is CCNC(CN(CC)C(C)CC)C1CC1.
What is the InChIKey of N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine?
The InChIKey is YUVQKXOBWNMSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11(4)15(7-3)10-13(14-6-2)12-8-9-12/h11-14H,5-10H2,1-4H3.
What are the key properties of N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine?
N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-1-cyclopropyl-N,N'-diethylethane-1,2-diamine is sourced from PubChem (CID 63914297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).