(3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine

C10H19NO — CID 166905350

IUPAC(3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine
SMILESCNCC/C=C1/CCCOCC1
InChIInChI=1S/C10H19NO/c1-11-7-2-4-10-5-3-8-12-9-6-10/h4,11H,2-3,5-9H2,1H3/b10-4-
InChIKeyODZFRYBRSJOCGF-WMZJFQQLSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds3

About (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine

(3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine (PubChem CID 166905350) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine
PubChem CID166905350
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine
SMILESCNCC/C=C1/CCCOCC1
InChIInChI=1S/C10H19NO/c1-11-7-2-4-10-5-3-8-12-9-6-10/h4,11H,2-3,5-9H2,1H3/b10-4-
InChIKeyODZFRYBRSJOCGF-WMZJFQQLSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(oxepan-4-ylidene)propan-1-amine
CID 65080876
3-methyl-N-[3-(2,3,6,7-tetrahydrooxepin-4-yl)propyl]butan-1-amine
CID 143543991
3-(2,3,6,7-Tetrahydrooxepin-4-yl)propan-1-amine
CID 153027868
(2S,5Z)-5-(oxepan-4-ylidene)pentan-2-amine
CID 169852712
2-(Oxepan-4-ylidene)ethanamine
CID 77055372
3-(Oxepan-4-ylidene)propan-1-amine
CID 77055373
N,4-dimethyl-5-(oxolan-2-yl)pent-3-en-1-amine
CID 79599837
(4Z)-4-[2-(oxolan-2-yl)ethylidene]azepane
CID 103983734
(Z)-N-methyl-4-(oxan-3-yl)pent-3-en-1-amine
CID 107138007

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine?
The IUPAC name of (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine (CID 166905350) is (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine.
What is the SMILES notation for (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine?
The canonical SMILES for (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine is CNCC/C=C1/CCCOCC1.
What is the InChIKey of (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine?
The InChIKey is ODZFRYBRSJOCGF-WMZJFQQLSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-7-2-4-10-5-3-8-12-9-6-10/h4,11H,2-3,5-9H2,1H3/b10-4-.
What are the key properties of (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine?
(3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-3-(oxepan-4-ylidene)propan-1-amine is sourced from PubChem (CID 166905350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).