6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine

C16H31NO — CID 56855161

IUPAC6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCCCCC1CCCO1
InChIInChI=1S/C16H31NO/c1-14(2)8-6-9-15(3)17-12-5-4-10-16-11-7-13-18-16/h8,15-17H,4-7,9-13H2,1-3H3
InChIKeyYSALDTYHYHYQLV-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds9

About 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine

6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine (PubChem CID 56855161) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine
PubChem CID56855161
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine
SMILESCC(C)=CCCC(C)NCCCCC1CCCO1
InChIInChI=1S/C16H31NO/c1-14(2)8-6-9-15(3)17-12-5-4-10-16-11-7-13-18-16/h8,15-17H,4-7,9-13H2,1-3H3
InChIKeyYSALDTYHYHYQLV-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.06
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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Related Compounds

(2S)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259175
(2R)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259177
(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259179
(2R)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259181
(1,5-Dimethyl-4-hexen-1-yl)[3-(tetrahydro-3-furanyl)propyl]amine
CID 45930841
2-(cyclohexen-1-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 60692039
1-(cyclopenten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62077854
N-[cyclohepten-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62078217
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
1-(cyclohepten-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078549
N-[cyclopenten-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62078709
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078853

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine (CID 56855161) is 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine is CC(C)=CCCC(C)NCCCCC1CCCO1.
What is the InChIKey of 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine?
The InChIKey is YSALDTYHYHYQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(2)8-6-9-15(3)17-12-5-4-10-16-11-7-13-18-16/h8,15-17H,4-7,9-13H2,1-3H3.
What are the key properties of 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine?
6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine has a molecular weight of 253.43 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(oxolan-2-yl)butyl]hept-5-en-2-amine is sourced from PubChem (CID 56855161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).