2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine

C9H17F2N3 — CID 152810860

IUPAC2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine
SMILESCNN1C(CCCN)C1[C@H]1CC1(F)F
InChIInChI=1S/C9H17F2N3/c1-13-14-7(3-2-4-12)8(14)6-5-9(6,10)11/h6-8,13H,2-5,12H2,1H3/t6-,7?,8?,14?/m1/s1
InChIKeySQYTYMQQMPCDMM-UGGAFWMOSA-N
MW205.25 g/mol
LogP0.57
Rot. Bonds5

About 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine

2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine (PubChem CID 152810860) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine.

Molecular Properties

Compound Name2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine
PubChem CID152810860
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC Name2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine
SMILESCNN1C(CCCN)C1[C@H]1CC1(F)F
InChIInChI=1S/C9H17F2N3/c1-13-14-7(3-2-4-12)8(14)6-5-9(6,10)11/h6-8,13H,2-5,12H2,1H3/t6-,7?,8?,14?/m1/s1
InChIKeySQYTYMQQMPCDMM-UGGAFWMOSA-N
XLogP0.57
TPSA41.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine?
The IUPAC name of 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine (CID 152810860) is 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine.
What is the SMILES notation for 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine?
The canonical SMILES for 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine is CNN1C(CCCN)C1[C@H]1CC1(F)F.
What is the InChIKey of 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine?
The InChIKey is SQYTYMQQMPCDMM-UGGAFWMOSA-N. The full InChI is InChI=1S/C9H17F2N3/c1-13-14-7(3-2-4-12)8(14)6-5-9(6,10)11/h6-8,13H,2-5,12H2,1H3/t6-,7?,8?,14?/m1/s1.
What are the key properties of 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine?
2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine has a molecular weight of 205.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-3-[(1R)-2,2-difluorocyclopropyl]-N-methylaziridin-1-amine is sourced from PubChem (CID 152810860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).