2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

C14H28N4O2 — CID 65227500

IUPAC2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCCC(CN)C(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-4-12(10-15)14(20)18-7-5-6-17(8-9-18)11-13(19)16(2)3/h12H,4-11,15H2,1-3H3
InChIKeyQECOVBHDOKEODX-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.41
Rot. Bonds5

About 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide

2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (PubChem CID 65227500) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
PubChem CID65227500
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCCC(CN)C(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C14H28N4O2/c1-4-12(10-15)14(20)18-7-5-6-17(8-9-18)11-13(19)16(2)3/h12H,4-11,15H2,1-3H3
InChIKeyQECOVBHDOKEODX-UHFFFAOYSA-N
XLogP-0.41
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227502
2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]acetic acid
CID 65228581
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-[4-[(2R)-2-hydroxybutyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 111487415
2-[4-(2-aminohexanoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937695
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
2-[4-(4-hydroxybutanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 79204679
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
2-(aminomethyl)-1-(3,3,4-trimethylpiperazin-1-yl)butan-1-one
CID 63609215
2-[4-(3-amino-2-methylpropanoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825510
2-[4-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 104907616

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (CID 65227500) is 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is CCC(CN)C(=O)N1CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is QECOVBHDOKEODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-4-12(10-15)14(20)18-7-5-6-17(8-9-18)11-13(19)16(2)3/h12H,4-11,15H2,1-3H3.
What are the key properties of 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 284.40 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 65227500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).