N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine

C13H26F2N2 — CID 131969265

IUPACN-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)C1CC1)CC(F)(F)CC
InChIInChI=1S/C13H26F2N2/c1-4-13(14,15)10-17(5-2)9-8-16-11(3)12-6-7-12/h11-12,16H,4-10H2,1-3H3
InChIKeyIZJKYOWLZXMSRO-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.74
Rot. Bonds9

About N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine

N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine (PubChem CID 131969265) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine
PubChem CID131969265
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC NameN-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)C1CC1)CC(F)(F)CC
InChIInChI=1S/C13H26F2N2/c1-4-13(14,15)10-17(5-2)9-8-16-11(3)12-6-7-12/h11-12,16H,4-10H2,1-3H3
InChIKeyIZJKYOWLZXMSRO-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573810
N'-cyclopropyl-N-(1-cyclopropylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555483
N-(1-cyclopropylethyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 62555040
N-(1-cyclopropylethyl)-N',N'-bis(2-ethoxyethyl)ethane-1,2-diamine
CID 82965219
N-(1-cyclopropylethyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 115676398
N-(1-cyclopropylethyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62557377
N',N'-diethyl-N-[1-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307899
N-[1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethyl]propan-1-amine
CID 55258766
1-cyclopropyl-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65385048
N-(1-cyclopropylethyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557230
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
N',N'-diethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 43307897

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine (CID 131969265) is N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine is CCN(CCNC(C)C1CC1)CC(F)(F)CC.
What is the InChIKey of N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine?
The InChIKey is IZJKYOWLZXMSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-4-13(14,15)10-17(5-2)9-8-16-11(3)12-6-7-12/h11-12,16H,4-10H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine?
N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N'-(2,2-difluorobutyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 131969265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).