N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine

C10H19FN2 — CID 167504083

IUPACN-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCC2(CF)CC2)C1
InChIInChI=1S/C10H19FN2/c1-13-5-2-9(6-13)12-8-10(7-11)3-4-10/h9,12H,2-8H2,1H3
InChIKeyVHQAVLIKKCLYKM-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.03
Rot. Bonds4

About N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine

N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine (PubChem CID 167504083) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine
PubChem CID167504083
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC NameN-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCC2(CF)CC2)C1
InChIInChI=1S/C10H19FN2/c1-13-5-2-9(6-13)12-8-10(7-11)3-4-10/h9,12H,2-8H2,1H3
InChIKeyVHQAVLIKKCLYKM-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]pyrrolidin-3-amine
CID 115244573
N-[(3-fluoropiperidin-3-yl)methyl]-1-methylpyrrolidin-3-amine
CID 105469159
ethane;N-[1-(fluoromethyl)cyclopropyl]-1-methylpyrrolidin-3-amine
CID 167501312
1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclobutane-1-carbonitrile
CID 115245097
4-ethyl-1-[[(1-methylpyrrolidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 65116040
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
N-[(E)-but-2-enyl]-1-methylpyrrolidin-3-amine
CID 107898844
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314

Frequently Asked Questions

What is the IUPAC name of N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine (CID 167504083) is N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine is CN1CCC(NCC2(CF)CC2)C1.
What is the InChIKey of N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is VHQAVLIKKCLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-13-5-2-9(6-13)12-8-10(7-11)3-4-10/h9,12H,2-8H2,1H3.
What are the key properties of N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine?
N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 186.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(fluoromethyl)cyclopropyl]methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 167504083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).