5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine

C15H29NO — CID 105004924

IUPAC5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCC1CCCCO1
InChIInChI=1S/C15H29NO/c1-4-10-16-14(12-13(2)3)8-9-15-7-5-6-11-17-15/h12,14-16H,4-11H2,1-3H3
InChIKeyPPFIOWHDYCBJSS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds7

About 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine

5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine (PubChem CID 105004924) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine
PubChem CID105004924
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCC1CCCCO1
InChIInChI=1S/C15H29NO/c1-4-10-16-14(12-13(2)3)8-9-15-7-5-6-11-17-15/h12,14-16H,4-11H2,1-3H3
InChIKeyPPFIOWHDYCBJSS-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
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,5-dimethyl-1-(oxan-2-yl)hex-4-en-3-amine
CID 105004925
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
[4-methyl-1-(oxan-2-yl)pent-3-en-2-yl]hydrazine
CID 105267573
3-(oxan-2-yl)-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 104988530
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
3-(oxan-2-yl)-1-(oxolan-3-yl)-N-propylpropan-1-amine
CID 115856676
5-methyl-1-(oxan-2-yl)-N-propylhex-5-en-2-amine
CID 114475869
6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
CID 103032094
4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
CID 105156823
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine?
The IUPAC name of 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine (CID 105004924) is 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine.
What is the SMILES notation for 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine?
The canonical SMILES for 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine is CCCNC(C=C(C)C)CCC1CCCCO1.
What is the InChIKey of 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine?
The InChIKey is PPFIOWHDYCBJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-10-16-14(12-13(2)3)8-9-15-7-5-6-11-17-15/h12,14-16H,4-11H2,1-3H3.
What are the key properties of 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine?
5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-2-yl)-N-propylhex-4-en-3-amine is sourced from PubChem (CID 105004924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).