2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine

C14H27NO — CID 102640931

IUPAC2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCC1CCCO1)CNCCC
InChIInChI=1S/C14H27NO/c1-4-10-15-12-14(3,5-2)9-8-13-7-6-11-16-13/h5,13,15H,2,4,6-12H2,1,3H3
InChIKeyKDMSBMKBKCHBJV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds8

About 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine

2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine (PubChem CID 102640931) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
PubChem CID102640931
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
SMILESC=CC(C)(CCC1CCCO1)CNCCC
InChIInChI=1S/C14H27NO/c1-4-10-15-12-14(3,5-2)9-8-13-7-6-11-16-13/h5,13,15H,2,4,6-12H2,1,3H3
InChIKeyKDMSBMKBKCHBJV-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
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

2-ethenyl-2-methyl-N-(2-methylpropyl)-5-(oxolan-2-yl)pentan-1-amine
CID 102641532
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
N,2-diethyl-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65165209
7-(oxolan-2-yl)-N-propylhept-3-en-1-amine
CID 79592517
N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 81022159
2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
CID 66336545
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164933
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 83160361
2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 114942090

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine?
The IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine (CID 102640931) is 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine.
What is the SMILES notation for 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine?
The canonical SMILES for 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine is C=CC(C)(CCC1CCCO1)CNCCC.
What is the InChIKey of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine?
The InChIKey is KDMSBMKBKCHBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-10-15-12-14(3,5-2)9-8-13-7-6-11-16-13/h5,13,15H,2,4,6-12H2,1,3H3.
What are the key properties of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine?
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine is sourced from PubChem (CID 102640931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).