1-(oxan-4-yl)-N-propylhexan-3-amine

C14H29NO — CID 62386979

IUPAC1-(oxan-4-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCC1CCOCC1
InChIInChI=1S/C14H29NO/c1-3-5-14(15-10-4-2)7-6-13-8-11-16-12-9-13/h13-15H,3-12H2,1-2H3
InChIKeyISDRCNPFSBIOOK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 1-(oxan-4-yl)-N-propylhexan-3-amine

1-(oxan-4-yl)-N-propylhexan-3-amine (PubChem CID 62386979) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-propylhexan-3-amine
PubChem CID62386979
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-(oxan-4-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCC1CCOCC1
InChIInChI=1S/C14H29NO/c1-3-5-14(15-10-4-2)7-6-13-8-11-16-12-9-13/h13-15H,3-12H2,1-2H3
InChIKeyISDRCNPFSBIOOK-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-propylhexan-3-amine?
The IUPAC name of 1-(oxan-4-yl)-N-propylhexan-3-amine (CID 62386979) is 1-(oxan-4-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(oxan-4-yl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(oxan-4-yl)-N-propylhexan-3-amine is CCCNC(CCC)CCC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-N-propylhexan-3-amine?
The InChIKey is ISDRCNPFSBIOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-14(15-10-4-2)7-6-13-8-11-16-12-9-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(oxan-4-yl)-N-propylhexan-3-amine?
1-(oxan-4-yl)-N-propylhexan-3-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 62386979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).