N-propyloxepan-4-amine

C9H19NO — CID 65076440

IUPACN-propyloxepan-4-amine
SMILESCCCNC1CCCOCC1
InChIInChI=1S/C9H19NO/c1-2-6-10-9-4-3-7-11-8-5-9/h9-10H,2-8H2,1H3
InChIKeyUNZUNFNKQKLBJU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.56
Rot. Bonds3

About N-propyloxepan-4-amine

N-propyloxepan-4-amine (PubChem CID 65076440) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-propyloxepan-4-amine.

Molecular Properties

Compound NameN-propyloxepan-4-amine
PubChem CID65076440
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-propyloxepan-4-amine
SMILESCCCNC1CCCOCC1
InChIInChI=1S/C9H19NO/c1-2-6-10-9-4-3-7-11-8-5-9/h9-10H,2-8H2,1H3
InChIKeyUNZUNFNKQKLBJU-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyloxepan-4-amine?
The IUPAC name of N-propyloxepan-4-amine (CID 65076440) is N-propyloxepan-4-amine.
What is the SMILES notation for N-propyloxepan-4-amine?
The canonical SMILES for N-propyloxepan-4-amine is CCCNC1CCCOCC1.
What is the InChIKey of N-propyloxepan-4-amine?
The InChIKey is UNZUNFNKQKLBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-6-10-9-4-3-7-11-8-5-9/h9-10H,2-8H2,1H3.
What are the key properties of N-propyloxepan-4-amine?
N-propyloxepan-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyloxepan-4-amine is sourced from PubChem (CID 65076440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).