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

C12H23NO — CID 115724005

IUPAC1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)C1CCOC1)C1CC1
InChIInChI=1S/C12H23NO/c1-3-12(10-4-5-10)13-9(2)11-6-7-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeyQWUGJNGVTUJJLO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

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

1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 115724005) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID115724005
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCC(NC(C)C1CCOC1)C1CC1
InChIInChI=1S/C12H23NO/c1-3-12(10-4-5-10)13-9(2)11-6-7-14-8-11/h9-13H,3-8H2,1-2H3
InChIKeyQWUGJNGVTUJJLO-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
2-[1-(oxolan-3-yl)ethylamino]butanamide
CID 115660058
1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
1-N,1-N,3-trimethyl-2-N-[1-(oxolan-3-yl)propyl]butane-1,2-diamine
CID 113260390
N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine
CID 115723659
N-[1-(oxolan-3-yl)propyl]pentan-1-amine
CID 115705770
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
3-butan-2-yloxolane;ethane
CID 143988733

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine (CID 115724005) is 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine is CCC(NC(C)C1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is QWUGJNGVTUJJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-12(10-4-5-10)13-9(2)11-6-7-14-8-11/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine?
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115724005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).