3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one

C14H28N2O2 — CID 112696580

IUPAC3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
SMILESCCCC(CCC)NCCC(=O)N1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-3-5-13(6-4-2)15-8-7-14(17)16-9-11-18-12-10-16/h13,15H,3-12H2,1-2H3
InChIKeyZHUVSOSMLSTJRM-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.79
Rot. Bonds8

About 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one

3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one (PubChem CID 112696580) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
PubChem CID112696580
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one
SMILESCCCC(CCC)NCCC(=O)N1CCOCC1
InChIInChI=1S/C14H28N2O2/c1-3-5-13(6-4-2)15-8-7-14(17)16-9-11-18-12-10-16/h13,15H,3-12H2,1-2H3
InChIKeyZHUVSOSMLSTJRM-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-morpholin-4-yl-3-(pentan-3-ylamino)propan-1-one
CID 115609879
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]hexanoate
CID 103262996
1-morpholin-4-yl-4-(propan-2-ylamino)butan-1-one
CID 60649439
3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170
N'-(3-morpholin-4-yl-3-oxopropyl)propanehydrazide
CID 67586410
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
methyl 2-[(3-morpholin-4-yl-3-oxopropyl)amino]but-3-enoate
CID 114242559
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one (CID 112696580) is 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one is CCCC(CCC)NCCC(=O)N1CCOCC1.
What is the InChIKey of 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZHUVSOSMLSTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-13(6-4-2)15-8-7-14(17)16-9-11-18-12-10-16/h13,15H,3-12H2,1-2H3.
What are the key properties of 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one?
3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-4-ylamino)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112696580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).