2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine

C16H33NO — CID 65165708

IUPAC2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CC)(CC)CCCC1CCCO1
InChIInChI=1S/C16H33NO/c1-4-12-17-14-16(5-2,6-3)11-7-9-15-10-8-13-18-15/h15,17H,4-14H2,1-3H3
InChIKeyUNNNUPBEQDNNNO-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds10

About 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine

2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 65165708) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
PubChem CID65165708
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNCC(CC)(CC)CCCC1CCCO1
InChIInChI=1S/C16H33NO/c1-4-12-17-14-16(5-2,6-3)11-7-9-15-10-8-13-18-15/h15,17H,4-14H2,1-3H3
InChIKeyUNNNUPBEQDNNNO-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
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

2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599
N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
N,2,2-triethyl-N-(oxolan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62257104
2-methyl-2-[2-(oxolan-2-yl)ethyl]-N-propylbut-3-en-1-amine
CID 102640931
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588
2-[3-(oxolan-2-yl)propyl]-2-propylpropane-1,3-diol
CID 79450280
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164933
N-[[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methyl]propan-1-amine
CID 81033878
7-(oxolan-2-yl)-N-propylhept-3-en-1-amine
CID 79592517

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine (CID 65165708) is 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine is CCCNCC(CC)(CC)CCCC1CCCO1.
What is the InChIKey of 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is UNNNUPBEQDNNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-12-17-14-16(5-2,6-3)11-7-9-15-10-8-13-18-15/h15,17H,4-14H2,1-3H3.
What are the key properties of 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine?
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 65165708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).