2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

C13H26F2N2 — CID 114223672

IUPAC2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1CCC(F)(F)C1
InChIInChI=1S/C13H26F2N2/c1-4-12(5-2,10-16)17(3)9-11-6-7-13(14,15)8-11/h11H,4-10,16H2,1-3H3
InChIKeyOJFACSOTXRVSLV-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.87
Rot. Bonds6

About 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine

2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (PubChem CID 114223672) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
PubChem CID114223672
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)CC1CCC(F)(F)C1
InChIInChI=1S/C13H26F2N2/c1-4-12(5-2,10-16)17(3)9-11-6-7-13(14,15)8-11/h11H,4-10,16H2,1-3H3
InChIKeyOJFACSOTXRVSLV-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N,N-dimethylcyclopentan-1-amine
CID 10844493
1-(aminomethyl)-4,4-difluoro-N,N-dimethylcyclohexan-1-amine
CID 117626887
(3S,5R)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 126512606
1-(aminomethyl)-4,4-difluoro-N-pentyl-N-propylcyclohexan-1-amine
CID 134567032
(3R,5S)-1-(3-methylhexan-3-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 135213107
N'-(4-methylhexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 166852123
2-Ethyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43173293
2,5-Dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexan-1-amine
CID 43362669
2,4-Dimethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 43362670
[1-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclopentyl]methanamine
CID 43362672
2-Propyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-amine
CID 43362673
N-(cyclopentylmethyl)-N'-ethyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089671

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine (CID 114223672) is 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)CC1CCC(F)(F)C1.
What is the InChIKey of 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
The InChIKey is OJFACSOTXRVSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-4-12(5-2,10-16)17(3)9-11-6-7-13(14,15)8-11/h11H,4-10,16H2,1-3H3.
What are the key properties of 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine?
2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3,3-difluorocyclopentyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 114223672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).