N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine

C15H29NO — CID 102641406

IUPACN-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H29NO/c1-6-15(5,12-16-14(2,3)4)11-13-7-9-17-10-8-13/h6,13,16H,1,7-12H2,2-5H3
InChIKeyDIDSSJJQNDNZCZ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds5

About N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine

N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine (PubChem CID 102641406) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
PubChem CID102641406
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
SMILESC=CC(C)(CNC(C)(C)C)CC1CCOCC1
InChIInChI=1S/C15H29NO/c1-6-15(5,12-16-14(2,3)4)11-13-7-9-17-10-8-13/h6,13,16H,1,7-12H2,2-5H3
InChIKeyDIDSSJJQNDNZCZ-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
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-[2-(2,2,5,5-tetramethyloxan-4-yl)ethyl]but-3-en-1-amine
CID 146647486
4-[(Z)-4,4-dimethylpent-2-en-3-yl]-N-ethyloxan-4-amine
CID 154952981
3-(2-Pent-4-enoxyethyl)piperidine
CID 53409505
N-tert-butyl-2,2-dimethyl-3-(oxan-4-yl)propan-1-amine
CID 62724749
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905218
N-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 65334438
N-ethyl-1-(oxan-4-yl)but-3-en-1-amine
CID 65334551
1-(oxan-4-yl)-N-propylbut-3-en-1-amine
CID 65334664
(3S)-3-(2-pent-4-enoxyethyl)piperidine
CID 86320710
(3R)-3-(2-pent-4-enoxyethyl)piperidine
CID 86320712
2-Methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640402
N,2-dimethyl-2-(oxan-4-ylmethyl)but-3-en-1-amine
CID 102640580

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine (CID 102641406) is N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine is C=CC(C)(CNC(C)(C)C)CC1CCOCC1.
What is the InChIKey of N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
The InChIKey is DIDSSJJQNDNZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-6-15(5,12-16-14(2,3)4)11-13-7-9-17-10-8-13/h6,13,16H,1,7-12H2,2-5H3.
What are the key properties of N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine?
N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-(oxan-4-ylmethyl)but-3-en-1-amine is sourced from PubChem (CID 102641406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).