2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine

C13H25NO — CID 102640884

IUPAC2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CNCCC)CC1CCCO1
InChIInChI=1S/C13H25NO/c1-4-8-14-11-13(3,5-2)10-12-7-6-9-15-12/h5,12,14H,2,4,6-11H2,1,3H3
InChIKeyJNBFHGUESBJVHH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds7

About 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine

2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine (PubChem CID 102640884) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine
PubChem CID102640884
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CNCCC)CC1CCCO1
InChIInChI=1S/C13H25NO/c1-4-8-14-11-13(3,5-2)10-12-7-6-9-15-12/h5,12,14H,2,4,6-11H2,1,3H3
InChIKeyJNBFHGUESBJVHH-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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-ethyl-2,2-dimethyl-3-(oxolan-2-yl)propan-1-amine
CID 62725528
2,2-dimethyl-N-(2-methylpropyl)-3-(oxolan-2-yl)propan-1-amine
CID 62725749
2,2-dimethyl-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 62726354
2-Ethenyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640360
2-[(5,5-Dimethyloxolan-2-yl)methyl]-2-methylbut-3-en-1-amine
CID 102640364
2-Methyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640373
2-Methyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640424
2-ethenyl-N,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640538
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640543
N,2-dimethyl-2-(oxolan-2-ylmethyl)but-3-en-1-amine
CID 102640552
N,2-dimethyl-2-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 102640600
2-ethenyl-N-ethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 102640707

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine?
The IUPAC name of 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine (CID 102640884) is 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine is C=CC(C)(CNCCC)CC1CCCO1.
What is the InChIKey of 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine?
The InChIKey is JNBFHGUESBJVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-14-11-13(3,5-2)10-12-7-6-9-15-12/h5,12,14H,2,4,6-11H2,1,3H3.
What are the key properties of 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine?
2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-2-ylmethyl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 102640884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).