2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine

C15H31NO — CID 65165095

IUPAC2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine
SMILESCCCNCC(C)(CCC)CCC1CCCO1
InChIInChI=1S/C15H31NO/c1-4-9-15(3,13-16-11-5-2)10-8-14-7-6-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeySPZZPZJNOTXQQR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds9

About 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine

2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine (PubChem CID 65165095) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine
PubChem CID65165095
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine
SMILESCCCNCC(C)(CCC)CCC1CCCO1
InChIInChI=1S/C15H31NO/c1-4-9-15(3,13-16-11-5-2)10-8-14-7-6-12-17-14/h14,16H,4-13H2,1-3H3
InChIKeySPZZPZJNOTXQQR-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-1-amine
CID 62723188
N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]ethanamine
CID 62723790
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]piperidine
CID 112563004
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 112564402
2-methyl-4-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 114899404
3-(5-Hexoxypentyl)pyrrolidine
CID 53671543
4-[(Oxolan-2-yl)methyl]piperidine
CID 67123011
N-ethyl-2-methyl-4-(oxolan-2-yl)butan-2-amine
CID 91054537
4-(2,3-Diethyloxolan-3-yl)piperidine
CID 91433942
3-[3-(2,2-dimethylpropyl)oxolan-3-yl]-N-methylpropan-1-amine
CID 123547910
3-Methyl-3-propyl-2-oxa-8-azaspiro[4.5]decane
CID 126489616
2-(2,2-Dimethylpropyl)-1-oxa-8-azaspiro[4.5]decane
CID 132041913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine?
The IUPAC name of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine (CID 65165095) is 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine.
What is the SMILES notation for 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine?
The canonical SMILES for 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine is CCCNCC(C)(CCC)CCC1CCCO1.
What is the InChIKey of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine?
The InChIKey is SPZZPZJNOTXQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-9-15(3,13-16-11-5-2)10-8-14-7-6-12-17-14/h14,16H,4-13H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine?
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 9 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-propylpentan-1-amine is sourced from PubChem (CID 65165095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).