N-[1-(oxolan-2-yl)propyl]cycloheptanamine

C14H27NO — CID 115896557

IUPACN-[1-(oxolan-2-yl)propyl]cycloheptanamine
SMILESCCC(NC1CCCCCC1)C1CCCO1
InChIInChI=1S/C14H27NO/c1-2-13(14-10-7-11-16-14)15-12-8-5-3-4-6-9-12/h12-15H,2-11H2,1H3
InChIKeyDGPPZXTUFHTKGG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(oxolan-2-yl)propyl]cycloheptanamine

N-[1-(oxolan-2-yl)propyl]cycloheptanamine (PubChem CID 115896557) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)propyl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)propyl]cycloheptanamine
PubChem CID115896557
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[1-(oxolan-2-yl)propyl]cycloheptanamine
SMILESCCC(NC1CCCCCC1)C1CCCO1
InChIInChI=1S/C14H27NO/c1-2-13(14-10-7-11-16-14)15-12-8-5-3-4-6-9-12/h12-15H,2-11H2,1H3
InChIKeyDGPPZXTUFHTKGG-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)propyl]cycloheptanamine?
The IUPAC name of N-[1-(oxolan-2-yl)propyl]cycloheptanamine (CID 115896557) is N-[1-(oxolan-2-yl)propyl]cycloheptanamine.
What is the SMILES notation for N-[1-(oxolan-2-yl)propyl]cycloheptanamine?
The canonical SMILES for N-[1-(oxolan-2-yl)propyl]cycloheptanamine is CCC(NC1CCCCCC1)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)propyl]cycloheptanamine?
The InChIKey is DGPPZXTUFHTKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-13(14-10-7-11-16-14)15-12-8-5-3-4-6-9-12/h12-15H,2-11H2,1H3.
What are the key properties of N-[1-(oxolan-2-yl)propyl]cycloheptanamine?
N-[1-(oxolan-2-yl)propyl]cycloheptanamine has a molecular weight of 225.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)propyl]cycloheptanamine is sourced from PubChem (CID 115896557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).