[4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone

C13H26N4O2 — CID 79154880

IUPAC[4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESNCCCN1CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N4O2/c14-3-1-4-15-5-2-6-16(8-7-15)13(18)17-9-11-19-12-10-17/h1-12,14H2
InChIKeyOFTPCFCOPNVUHP-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.20
Rot. Bonds3

About [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone

[4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (PubChem CID 79154880) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
PubChem CID79154880
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name[4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESNCCCN1CCCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H26N4O2/c14-3-1-4-15-5-2-6-16(8-7-15)13(18)17-9-11-19-12-10-17/h1-12,14H2
InChIKeyOFTPCFCOPNVUHP-UHFFFAOYSA-N
XLogP-0.20
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-Bis(4-morpholinylcarbonyl)-1,4-diazepane
CID 2147527
1-Butyl-3-(2-morpholinoethyl)urea
CID 1632256
4-(2,2-difluoroethyl)-N-[2-(3-methylmorpholin-4-yl)propyl]-1,4-diazepane-1-carboxamide
CID 75437637
N-(2-morpholin-4-ylpropyl)-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 78892487
4-(2,2-difluoroethyl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-1,4-diazepane-1-carboxamide
CID 97331091
4-(2,2-difluoroethyl)-N-[(2S)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,4-diazepane-1-carboxamide
CID 97331092
4-(2,2-difluoroethyl)-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]-1,4-diazepane-1-carboxamide
CID 98874827
4-(2,2-difluoroethyl)-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]-1,4-diazepane-1-carboxamide
CID 124734013
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
1,1-Dimethyl-3-(3-morpholin-4-ylpropyl)urea
CID 3534691
1-(2-Morpholin-4-ylethyl)-3-propylurea
CID 4583080
1,4-Diazepan-4-ium-1-yl(morpholin-4-yl)methanone chloride
CID 10901031

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (CID 79154880) is [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is NCCCN1CCCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The InChIKey is OFTPCFCOPNVUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c14-3-1-4-15-5-2-6-16(8-7-15)13(18)17-9-11-19-12-10-17/h1-12,14H2.
What are the key properties of [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone has a molecular weight of 270.38 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 79154880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).