N-(oxan-2-ylmethyl)hex-5-en-2-amine

C12H23NO — CID 104581972

IUPACN-(oxan-2-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCCCO1
InChIInChI=1S/C12H23NO/c1-3-4-7-11(2)13-10-12-8-5-6-9-14-12/h3,11-13H,1,4-10H2,2H3
InChIKeySKGZQXFBBFZZGU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds6

About N-(oxan-2-ylmethyl)hex-5-en-2-amine

N-(oxan-2-ylmethyl)hex-5-en-2-amine (PubChem CID 104581972) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(oxan-2-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(oxan-2-ylmethyl)hex-5-en-2-amine
PubChem CID104581972
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(oxan-2-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCC1CCCCO1
InChIInChI=1S/C12H23NO/c1-3-4-7-11(2)13-10-12-8-5-6-9-14-12/h3,11-13H,1,4-10H2,2H3
InChIKeySKGZQXFBBFZZGU-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
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)hex-5-en-2-amine?
The IUPAC name of N-(oxan-2-ylmethyl)hex-5-en-2-amine (CID 104581972) is N-(oxan-2-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(oxan-2-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for N-(oxan-2-ylmethyl)hex-5-en-2-amine is C=CCCC(C)NCC1CCCCO1.
What is the InChIKey of N-(oxan-2-ylmethyl)hex-5-en-2-amine?
The InChIKey is SKGZQXFBBFZZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-7-11(2)13-10-12-8-5-6-9-14-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of N-(oxan-2-ylmethyl)hex-5-en-2-amine?
N-(oxan-2-ylmethyl)hex-5-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-2-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 104581972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).