3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine

C10H20F2N2 — CID 84674397

IUPAC3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
SMILESCN(CCC(C)(F)F)CC1CCNC1
InChIInChI=1S/C10H20F2N2/c1-10(11,12)4-6-14(2)8-9-3-5-13-7-9/h9,13H,3-8H2,1-2H3
InChIKeySGEGRUHZUKXZJZ-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.57
Rot. Bonds5

About 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine

3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine (PubChem CID 84674397) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
PubChem CID84674397
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine
SMILESCN(CCC(C)(F)F)CC1CCNC1
InChIInChI=1S/C10H20F2N2/c1-10(11,12)4-6-14(2)8-9-3-5-13-7-9/h9,13H,3-8H2,1-2H3
InChIKeySGEGRUHZUKXZJZ-UHFFFAOYSA-N
XLogP1.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 14086165
N,N-Diethyl-3-pyrrolidinemethanamine
CID 14075474
Methyl[(1-methylpyrrolidin-3-yl)methyl]amine
CID 15021556
[1-(2-Methylpropyl)pyrrolidin-3-yl]methanamine
CID 17998746
((1-Ethylpyrrolidin-3-yl)methyl)(methyl)amine
CID 17998752
(1-Propylpyrrolidin-3-yl)methanamine
CID 24275254
1-(2,2,2-Trifluoroethyl)-3-pyrrolidinemethanamine
CID 24700159
(R)-N,N-Dimethyl-1-(pyrrolidin-3-yl)methanamine
CID 26368555
dimethyl({[(3S)-pyrrolidin-3-yl]methyl})amine
CID 26368557
Ethyl(methyl)(pyrrolidin-3-ylmethyl)amine
CID 54112396
3,3-Difluoro-4-methylpyrrolidine hydrochloride
CID 84716657

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine?
The IUPAC name of 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine (CID 84674397) is 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine is CN(CCC(C)(F)F)CC1CCNC1.
What is the InChIKey of 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine?
The InChIKey is SGEGRUHZUKXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-10(11,12)4-6-14(2)8-9-3-5-13-7-9/h9,13H,3-8H2,1-2H3.
What are the key properties of 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine?
3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-N-(pyrrolidin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 84674397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).