N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine

C11H22FNO — CID 126847930

IUPACN-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCC1(F)CCCCC1
InChIInChI=1S/C11H22FNO/c1-14-9-5-8-13-10-11(12)6-3-2-4-7-11/h13H,2-10H2,1H3
InChIKeyXMPLSCXGNKZMBT-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.28
Rot. Bonds6

About N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine

N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine (PubChem CID 126847930) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine
PubChem CID126847930
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC NameN-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCC1(F)CCCCC1
InChIInChI=1S/C11H22FNO/c1-14-9-5-8-13-10-11(12)6-3-2-4-7-11/h13H,2-10H2,1H3
InChIKeyXMPLSCXGNKZMBT-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine (CID 126847930) is N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine is COCCCNCC1(F)CCCCC1.
What is the InChIKey of N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine?
The InChIKey is XMPLSCXGNKZMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-14-9-5-8-13-10-11(12)6-3-2-4-7-11/h13H,2-10H2,1H3.
What are the key properties of N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine?
N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclohexyl)methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 126847930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).