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

C15H29NO — CID 79607968

IUPACN-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H29NO/c1-13(6-5-9-16-15(2,3)4)12-14-7-10-17-11-8-14/h6,14,16H,5,7-12H2,1-4H3
InChIKeyIIPOKJVXAFULLD-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.53
Rot. Bonds5

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

N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine (PubChem CID 79607968) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine
PubChem CID79607968
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine
SMILESCC(=CCCNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H29NO/c1-13(6-5-9-16-15(2,3)4)12-14-7-10-17-11-8-14/h6,14,16H,5,7-12H2,1-4H3
InChIKeyIIPOKJVXAFULLD-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine?
The IUPAC name of N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine (CID 79607968) is N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine?
The canonical SMILES for N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine is CC(=CCCNC(C)(C)C)CC1CCOCC1.
What is the InChIKey of N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine?
The InChIKey is IIPOKJVXAFULLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-13(6-5-9-16-15(2,3)4)12-14-7-10-17-11-8-14/h6,14,16H,5,7-12H2,1-4H3.
What are the key properties of N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine?
N-tert-butyl-4-methyl-5-(oxan-4-yl)pent-3-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.53, 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-(oxan-4-yl)pent-3-en-1-amine is sourced from PubChem (CID 79607968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).