N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine

C11H21NO — CID 174308323

IUPACN-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine
SMILESC=C1CCOCCC1CCCNC
InChIInChI=1S/C11H21NO/c1-10-5-8-13-9-6-11(10)4-3-7-12-2/h11-12H,1,3-9H2,2H3
InChIKeyZWELXSPSKOXZDI-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds4

About N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine

N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine (PubChem CID 174308323) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine
PubChem CID174308323
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine
SMILESC=C1CCOCCC1CCCNC
InChIInChI=1S/C11H21NO/c1-10-5-8-13-9-6-11(10)4-3-7-12-2/h11-12H,1,3-9H2,2H3
InChIKeyZWELXSPSKOXZDI-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine?
The IUPAC name of N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine (CID 174308323) is N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine is C=C1CCOCCC1CCCNC.
What is the InChIKey of N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine?
The InChIKey is ZWELXSPSKOXZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10-5-8-13-9-6-11(10)4-3-7-12-2/h11-12H,1,3-9H2,2H3.
What are the key properties of N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine?
N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-methylideneoxepan-4-yl)propan-1-amine is sourced from PubChem (CID 174308323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).