(3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine

C10H20FNO — CID 177010011

IUPAC(3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine
SMILESCCNCC/C(=C/F)C[C@H](C)OC
InChIInChI=1S/C10H20FNO/c1-4-12-6-5-10(8-11)7-9(2)13-3/h8-9,12H,4-7H2,1-3H3/b10-8-/t9-/m0/s1
InChIKeyLDZVPMBYBFQPCA-CUQRQBARSA-N
MW189.27 g/mol
LogP2.26
Rot. Bonds7

About (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine

(3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine (PubChem CID 177010011) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine.

Molecular Properties

Compound Name(3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine
PubChem CID177010011
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine
SMILESCCNCC/C(=C/F)C[C@H](C)OC
InChIInChI=1S/C10H20FNO/c1-4-12-6-5-10(8-11)7-9(2)13-3/h8-9,12H,4-7H2,1-3H3/b10-8-/t9-/m0/s1
InChIKeyLDZVPMBYBFQPCA-CUQRQBARSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.26
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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Related Compounds

N-methyl-5-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470739
5-methoxy-N-(2-methylidenebutyl)pentan-1-amine
CID 105934572
5-methoxy-N-(3-methylbut-3-enyl)pentan-1-amine
CID 105934653
N-ethyl-5-(3-methylbut-3-enoxy)pentan-1-amine
CID 114470809
5-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
CID 114470810
5-(3-methylbut-3-enoxy)-N-propylpentan-1-amine
CID 114470856
5-methoxy-N-methyl-3-methylidenepentan-1-amine
CID 117268190

Frequently Asked Questions

What is the IUPAC name of (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine?
The IUPAC name of (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine (CID 177010011) is (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine.
What is the SMILES notation for (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine?
The canonical SMILES for (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine is CCNCC/C(=C/F)C[C@H](C)OC.
What is the InChIKey of (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine?
The InChIKey is LDZVPMBYBFQPCA-CUQRQBARSA-N. The full InChI is InChI=1S/C10H20FNO/c1-4-12-6-5-10(8-11)7-9(2)13-3/h8-9,12H,4-7H2,1-3H3/b10-8-/t9-/m0/s1.
What are the key properties of (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine?
(3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5S)-N-ethyl-3-(fluoromethylidene)-5-methoxyhexan-1-amine is sourced from PubChem (CID 177010011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).