1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

C12H26F2N2 — CID 102868158

IUPAC1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)C(F)F)N(C)C
InChIInChI=1S/C12H26F2N2/c1-6-10(7-2)11(16(4)5)8-15-9(3)12(13)14/h9-12,15H,6-8H2,1-5H3
InChIKeyZWIIZVFVWXQJNT-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.60
Rot. Bonds8

About 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine

1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 102868158) has the molecular formula C12H26F2N2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID102868158
Molecular FormulaC12H26F2N2
Molecular Weight236.35 g/mol
Exact Mass236.21
IUPAC Name1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)C(F)F)N(C)C
InChIInChI=1S/C12H26F2N2/c1-6-10(7-2)11(16(4)5)8-15-9(3)12(13)14/h9-12,15H,6-8H2,1-5H3
InChIKeyZWIIZVFVWXQJNT-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 115709020
3-[[2-(dimethylamino)-3-ethylpentyl]amino]-2-methylbutan-2-ol
CID 65333297
3-ethyl-2-N,2-N-dimethyl-1-N-(2-methylbutyl)pentane-1,2-diamine
CID 43096593
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007
3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 83118164
3-ethyl-2-N,2-N-dimethyl-1-N-(1-phenylpropyl)pentane-1,2-diamine
CID 43105129
N-(1,1-difluoropropan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102903901
1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43096436
2-N,2-N,3-trimethyl-1-N-(2-methylpentan-3-yl)butane-1,2-diamine
CID 43769902
1-N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43107194
3-ethyl-1-N-heptyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43130327
(2R)-2-amino-N-[2-(dimethylamino)-3-ethylpentyl]-3-methylbutanamide
CID 79013169

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 102868158) is 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC(C)C(F)F)N(C)C.
What is the InChIKey of 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is ZWIIZVFVWXQJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F2N2/c1-6-10(7-2)11(16(4)5)8-15-9(3)12(13)14/h9-12,15H,6-8H2,1-5H3.
What are the key properties of 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 236.35 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-difluoropropan-2-yl)-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 102868158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).