N-(oxan-2-ylmethyl)hept-6-en-3-amine

C13H25NO — CID 115713152

IUPACN-(oxan-2-ylmethyl)hept-6-en-3-amine
SMILESC=CCCC(CC)NCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-11-13-9-6-7-10-15-13/h3,12-14H,1,4-11H2,2H3
InChIKeyWCAFFLLULGAAPQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds7

About N-(oxan-2-ylmethyl)hept-6-en-3-amine

N-(oxan-2-ylmethyl)hept-6-en-3-amine (PubChem CID 115713152) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)hept-6-en-3-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)hept-6-en-3-amine
PubChem CID115713152
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(oxan-2-ylmethyl)hept-6-en-3-amine
SMILESC=CCCC(CC)NCC1CCCCO1
InChIInChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-11-13-9-6-7-10-15-13/h3,12-14H,1,4-11H2,2H3
InChIKeyWCAFFLLULGAAPQ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 103215432
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 103215437
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
CID 103475959
N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 113789325
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hept-6-en-2-amine
CID 113819977
3-(2-Fluoro-2-methylpent-4-enyl)morpholine
CID 116011189
N-(3,4-dihydro-2H-pyran-2-ylmethyl)propan-2-amine
CID 62065418
N-but-3-enyloxan-3-amine
CID 64313076
N-(oxan-2-ylmethyl)but-3-en-1-amine
CID 64313742
2-Pent-4-enylmorpholine
CID 66612518
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
2-(1-Ethoxyethenyl)piperidine
CID 117919244

Frequently Asked Questions

What is the IUPAC name of N-(oxan-2-ylmethyl)hept-6-en-3-amine?
The IUPAC name of N-(oxan-2-ylmethyl)hept-6-en-3-amine (CID 115713152) is N-(oxan-2-ylmethyl)hept-6-en-3-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)hept-6-en-3-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)hept-6-en-3-amine is C=CCCC(CC)NCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)hept-6-en-3-amine?
The InChIKey is WCAFFLLULGAAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-11-13-9-6-7-10-15-13/h3,12-14H,1,4-11H2,2H3.
What are the key properties of N-(oxan-2-ylmethyl)hept-6-en-3-amine?
N-(oxan-2-ylmethyl)hept-6-en-3-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)hept-6-en-3-amine is sourced from PubChem (CID 115713152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).