N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine

C15H29NO — CID 103132387

IUPACN-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)CC1CCC(C)O1
InChIInChI=1S/C15H29NO/c1-12(7-6-10-16-15(3,4)5)11-14-9-8-13(2)17-14/h7,13-14,16H,6,8-11H2,1-5H3
InChIKeyVMIBUNDSLZWUJS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds5

About N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine

N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine (PubChem CID 103132387) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine
PubChem CID103132387
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)CC1CCC(C)O1
InChIInChI=1S/C15H29NO/c1-12(7-6-10-16-15(3,4)5)11-14-9-8-13(2)17-14/h7,13-14,16H,6,8-11H2,1-5H3
InChIKeyVMIBUNDSLZWUJS-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methyl-5-(5-methyloxolan-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 103132390
N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine
CID 104889628
1-(tert-butylamino)-2-methyl-3-(5-methyloxolan-2-yl)propan-2-ol
CID 103132323
(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine
CID 104772466
1-[(2S,5R)-5-methyloxolan-2-yl]propan-2-one
CID 45085675
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
4-methyl-5-(oxolan-2-yl)-N-propylpent-3-en-1-amine
CID 79598732
N-tert-butyl-5-ethoxy-4-methylpent-3-en-1-amine
CID 79607207
N-tert-butyl-4,6-dimethyloct-3-en-1-amine
CID 79607887
2-methyl-N-[[3-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 103140628
N-tert-butyl-5,5,5-trifluoro-4-methylpent-3-en-1-amine
CID 79607121
N-tert-butyl-4,5-dimethylhept-3-en-1-amine
CID 79607630

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine (CID 103132387) is N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine is CC(=CCCNC(C)(C)C)CC1CCC(C)O1.
What is the InChIKey of N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine?
The InChIKey is VMIBUNDSLZWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(7-6-10-16-15(3,4)5)11-14-9-8-13(2)17-14/h7,13-14,16H,6,8-11H2,1-5H3.
What are the key properties of N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine?
N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine is sourced from PubChem (CID 103132387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).