N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine

C10H18FN — CID 154694573

IUPACN-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine
SMILESCC1=CCC(NCC(C)F)CC1
InChIInChI=1S/C10H18FN/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3,9-10,12H,4-7H2,1-2H3
InChIKeySNTSWVLJEIWEEP-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.43
Rot. Bonds3

About N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine

N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine (PubChem CID 154694573) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine
PubChem CID154694573
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC NameN-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine
SMILESCC1=CCC(NCC(C)F)CC1
InChIInChI=1S/C10H18FN/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3,9-10,12H,4-7H2,1-2H3
InChIKeySNTSWVLJEIWEEP-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine?
The IUPAC name of N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine (CID 154694573) is N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine.
What is the SMILES notation for N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine?
The canonical SMILES for N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine is CC1=CCC(NCC(C)F)CC1.
What is the InChIKey of N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine?
The InChIKey is SNTSWVLJEIWEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3,9-10,12H,4-7H2,1-2H3.
What are the key properties of N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine?
N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine has a molecular weight of 171.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)-4-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 154694573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).