N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine

C16H31NO — CID 104889628

IUPACN-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)CC1CCC(C)(C)O1
InChIInChI=1S/C16H31NO/c1-13(8-7-11-17-15(2,3)4)12-14-9-10-16(5,6)18-14/h8,14,17H,7,9-12H2,1-6H3
InChIKeyGJDLHFCMJXJGTM-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds5

About N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine

N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine (PubChem CID 104889628) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine
PubChem CID104889628
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)CC1CCC(C)(C)O1
InChIInChI=1S/C16H31NO/c1-13(8-7-11-17-15(2,3)4)12-14-9-10-16(5,6)18-14/h8,14,17H,7,9-12H2,1-6H3
InChIKeyGJDLHFCMJXJGTM-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

N-tert-butyl-4-methyl-5-(5-methyloxolan-2-yl)pent-3-en-1-amine
CID 103132387
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine
CID 102902719
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 116521611
(Z)-N-tert-butyl-5-(3,4-dihydro-2H-chromen-4-yl)-4-methylpent-3-en-1-amine
CID 104772466
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
CID 104929644
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
N-tert-butyl-5-(3,4-dimethylphenyl)-4-methylpent-3-en-1-amine
CID 79607714
4-methyl-5-(oxolan-2-yl)-N-propylpent-3-en-1-amine
CID 79598732
N-tert-butyl-4-methyl-5-propan-2-yloxypent-3-en-1-amine
CID 79607204
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
2-[(5,5-dimethyloxolan-2-yl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 102640712

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine?
The IUPAC name of N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine (CID 104889628) is N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine is CC(=CCCNC(C)(C)C)CC1CCC(C)(C)O1.
What is the InChIKey of N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine?
The InChIKey is GJDLHFCMJXJGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-13(8-7-11-17-15(2,3)4)12-14-9-10-16(5,6)18-14/h8,14,17H,7,9-12H2,1-6H3.
What are the key properties of N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine?
N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(5,5-dimethyloxolan-2-yl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 104889628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).