N-hex-5-en-2-yl-2-methyloxan-4-amine

C12H23NO — CID 104583726

IUPACN-hex-5-en-2-yl-2-methyloxan-4-amine
SMILESC=CCCC(C)NC1CCOC(C)C1
InChIInChI=1S/C12H23NO/c1-4-5-6-10(2)13-12-7-8-14-11(3)9-12/h4,10-13H,1,5-9H2,2-3H3
InChIKeyPRWCUSQCRZHPFD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds5

About N-hex-5-en-2-yl-2-methyloxan-4-amine

N-hex-5-en-2-yl-2-methyloxan-4-amine (PubChem CID 104583726) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-hex-5-en-2-yl-2-methyloxan-4-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-2-methyloxan-4-amine
PubChem CID104583726
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-hex-5-en-2-yl-2-methyloxan-4-amine
SMILESC=CCCC(C)NC1CCOC(C)C1
InChIInChI=1S/C12H23NO/c1-4-5-6-10(2)13-12-7-8-14-11(3)9-12/h4,10-13H,1,5-9H2,2-3H3
InChIKeyPRWCUSQCRZHPFD-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-3-amine
CID 103148561
1-(2,2-difluoroethoxy)-N-ethylhept-6-en-3-amine
CID 103149620
1-(2,2-difluoroethoxy)-N-propylhept-6-en-3-amine
CID 103149913
N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 113780946
4-(Pent-4-en-1-yloxy)piperidine
CID 53409914
2-(2-Ethoxyethyl)-3-prop-2-enylpiperazine
CID 57324690
N-but-3-enyloxan-4-amine
CID 64316493
4-methoxy-N-methylhept-6-en-2-amine
CID 137401090
2-(2-Methoxyhex-5-enyl)pyrrolidine
CID 141969107
3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
N-methyl-3-propan-2-yloxycyclohex-3-en-1-amine
CID 163703648
4-[4-(but-3-enylamino)butoxy]-N-methylcyclohexan-1-amine
CID 174464254

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-2-methyloxan-4-amine?
The IUPAC name of N-hex-5-en-2-yl-2-methyloxan-4-amine (CID 104583726) is N-hex-5-en-2-yl-2-methyloxan-4-amine.
What is the SMILES notation for N-hex-5-en-2-yl-2-methyloxan-4-amine?
The canonical SMILES for N-hex-5-en-2-yl-2-methyloxan-4-amine is C=CCCC(C)NC1CCOC(C)C1.
What is the InChIKey of N-hex-5-en-2-yl-2-methyloxan-4-amine?
The InChIKey is PRWCUSQCRZHPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-10(2)13-12-7-8-14-11(3)9-12/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of N-hex-5-en-2-yl-2-methyloxan-4-amine?
N-hex-5-en-2-yl-2-methyloxan-4-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-2-methyloxan-4-amine is sourced from PubChem (CID 104583726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).