N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide

C13H28N4O2 — CID 107214181

IUPACN-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
SMILESCN(CCCN)C(=O)CN1CCCN(CCO)CC1
InChIInChI=1S/C13H28N4O2/c1-15(5-2-4-14)13(19)12-17-7-3-6-16(8-9-17)10-11-18/h18H,2-12,14H2,1H3
InChIKeyHFPVHVLYCMGLCH-UHFFFAOYSA-N
MW272.39 g/mol
LogP-1.21
Rot. Bonds7

About N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide

N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide (PubChem CID 107214181) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
PubChem CID107214181
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC NameN-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
SMILESCN(CCCN)C(=O)CN1CCCN(CCO)CC1
InChIInChI=1S/C13H28N4O2/c1-15(5-2-4-14)13(19)12-17-7-3-6-16(8-9-17)10-11-18/h18H,2-12,14H2,1H3
InChIKeyHFPVHVLYCMGLCH-UHFFFAOYSA-N
XLogP-1.21
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
2-[4-(4-aminobutyl)piperazin-1-yl]-N-ethyl-N-methylacetamide
CID 43309505
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]ethanol
CID 43253174
2-[4-(5-hydroxypentyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110923804
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63309616
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 63207884
N-(3-aminopropyl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 43253640
N-(2-cyanoethyl)-3-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 107223079
N-(3-aminopropyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-N-methylacetamide
CID 103531208
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 60645191

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide (CID 107214181) is N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide is CN(CCCN)C(=O)CN1CCCN(CCO)CC1.
What is the InChIKey of N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
The InChIKey is HFPVHVLYCMGLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O2/c1-15(5-2-4-14)13(19)12-17-7-3-6-16(8-9-17)10-11-18/h18H,2-12,14H2,1H3.
What are the key properties of N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide?
N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide has a molecular weight of 272.39 g/mol, XLogP of -1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide is sourced from PubChem (CID 107214181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).