N-ethyl-1-(oxolan-2-yl)heptan-3-amine

C13H27NO — CID 79404378

IUPACN-ethyl-1-(oxolan-2-yl)heptan-3-amine
SMILESCCCCC(CCC1CCCO1)NCC
InChIInChI=1S/C13H27NO/c1-3-5-7-12(14-4-2)9-10-13-8-6-11-15-13/h12-14H,3-11H2,1-2H3
InChIKeyLGFOLGJGAJAECZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds8

About N-ethyl-1-(oxolan-2-yl)heptan-3-amine

N-ethyl-1-(oxolan-2-yl)heptan-3-amine (PubChem CID 79404378) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-2-yl)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-2-yl)heptan-3-amine
PubChem CID79404378
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-1-(oxolan-2-yl)heptan-3-amine
SMILESCCCCC(CCC1CCCO1)NCC
InChIInChI=1S/C13H27NO/c1-3-5-7-12(14-4-2)9-10-13-8-6-11-15-13/h12-14H,3-11H2,1-2H3
InChIKeyLGFOLGJGAJAECZ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-2-yl)heptan-3-amine?
The IUPAC name of N-ethyl-1-(oxolan-2-yl)heptan-3-amine (CID 79404378) is N-ethyl-1-(oxolan-2-yl)heptan-3-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-2-yl)heptan-3-amine?
The canonical SMILES for N-ethyl-1-(oxolan-2-yl)heptan-3-amine is CCCCC(CCC1CCCO1)NCC.
What is the InChIKey of N-ethyl-1-(oxolan-2-yl)heptan-3-amine?
The InChIKey is LGFOLGJGAJAECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-3-5-7-12(14-4-2)9-10-13-8-6-11-15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-1-(oxolan-2-yl)heptan-3-amine?
N-ethyl-1-(oxolan-2-yl)heptan-3-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-2-yl)heptan-3-amine is sourced from PubChem (CID 79404378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).