N-ethyloxepan-4-amine

C8H17NO — CID 65076491

IUPACN-ethyloxepan-4-amine
SMILESCCNC1CCCOCC1
InChIInChI=1S/C8H17NO/c1-2-9-8-4-3-6-10-7-5-8/h8-9H,2-7H2,1H3
InChIKeyQVPNCXSPQKOURN-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds2

About N-ethyloxepan-4-amine

N-ethyloxepan-4-amine (PubChem CID 65076491) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-ethyloxepan-4-amine.

Molecular Properties

Compound NameN-ethyloxepan-4-amine
PubChem CID65076491
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-ethyloxepan-4-amine
SMILESCCNC1CCCOCC1
InChIInChI=1S/C8H17NO/c1-2-9-8-4-3-6-10-7-5-8/h8-9H,2-7H2,1H3
InChIKeyQVPNCXSPQKOURN-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyloxepan-4-amine?
The IUPAC name of N-ethyloxepan-4-amine (CID 65076491) is N-ethyloxepan-4-amine.
What is the SMILES notation for N-ethyloxepan-4-amine?
The canonical SMILES for N-ethyloxepan-4-amine is CCNC1CCCOCC1.
What is the InChIKey of N-ethyloxepan-4-amine?
The InChIKey is QVPNCXSPQKOURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-9-8-4-3-6-10-7-5-8/h8-9H,2-7H2,1H3.
What are the key properties of N-ethyloxepan-4-amine?
N-ethyloxepan-4-amine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyloxepan-4-amine is sourced from PubChem (CID 65076491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).