N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine

C14H27NO — CID 115892176

IUPACN-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)CC1CCOCC1
InChIInChI=1S/C14H27NO/c1-3-4-13-10-14(13)15-11(2)9-12-5-7-16-8-6-12/h11-15H,3-10H2,1-2H3
InChIKeyHBRWQACVBQGWNM-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds6

About N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine

N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine (PubChem CID 115892176) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine
PubChem CID115892176
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine
SMILESCCCC1CC1NC(C)CC1CCOCC1
InChIInChI=1S/C14H27NO/c1-3-4-13-10-14(13)15-11(2)9-12-5-7-16-8-6-12/h11-15H,3-10H2,1-2H3
InChIKeyHBRWQACVBQGWNM-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine (CID 115892176) is N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine is CCCC1CC1NC(C)CC1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine?
The InChIKey is HBRWQACVBQGWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-13-10-14(13)15-11(2)9-12-5-7-16-8-6-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine?
N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)propan-2-yl]-2-propylcyclopropan-1-amine is sourced from PubChem (CID 115892176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).