N-[1-(oxolan-3-yl)ethyl]hexan-3-amine

C12H25NO — CID 115888979

IUPACN-[1-(oxolan-3-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)C1CCOC1
InChIInChI=1S/C12H25NO/c1-4-6-12(5-2)13-10(3)11-7-8-14-9-11/h10-13H,4-9H2,1-3H3
InChIKeyIQDYWCYHCFRKAE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-[1-(oxolan-3-yl)ethyl]hexan-3-amine

N-[1-(oxolan-3-yl)ethyl]hexan-3-amine (PubChem CID 115888979) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)ethyl]hexan-3-amine
PubChem CID115888979
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[1-(oxolan-3-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)C1CCOC1
InChIInChI=1S/C12H25NO/c1-4-6-12(5-2)13-10(3)11-7-8-14-9-11/h10-13H,4-9H2,1-3H3
InChIKeyIQDYWCYHCFRKAE-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
3-heptan-4-yloxolane
CID 162375259
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
CID 115894360
3-(1-bromobutyl)oxolane
CID 83051784

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)ethyl]hexan-3-amine?
The IUPAC name of N-[1-(oxolan-3-yl)ethyl]hexan-3-amine (CID 115888979) is N-[1-(oxolan-3-yl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)ethyl]hexan-3-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)ethyl]hexan-3-amine is CCCC(CC)NC(C)C1CCOC1.
What is the InChIKey of N-[1-(oxolan-3-yl)ethyl]hexan-3-amine?
The InChIKey is IQDYWCYHCFRKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-12(5-2)13-10(3)11-7-8-14-9-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[1-(oxolan-3-yl)ethyl]hexan-3-amine?
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)ethyl]hexan-3-amine is sourced from PubChem (CID 115888979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).