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

C15H30N4O2 — CID 65227502

IUPAC2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCCCC(CN)C(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-4-6-13(11-16)15(21)19-8-5-7-18(9-10-19)12-14(20)17(2)3/h13H,4-12,16H2,1-3H3
InChIKeyFANCQWDTCYSHKU-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.02
Rot. Bonds6

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

2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (PubChem CID 65227502) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
PubChem CID65227502
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCCCC(CN)C(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-4-6-13(11-16)15(21)19-8-5-7-18(9-10-19)12-14(20)17(2)3/h13H,4-12,16H2,1-3H3
InChIKeyFANCQWDTCYSHKU-UHFFFAOYSA-N
XLogP-0.02
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227500
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
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-propylpentan-1-one
CID 82984279
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-(aminomethyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 62968051
2-[4-(2-aminohexanoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937695
2-[4-(4-hydroxybutanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 79204679
2-[4-(2-propylpentanoyl)piperazin-1-yl]ethanethioamide
CID 82984936
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
2-(aminomethyl)-1-(4,4-dimethylazepan-1-yl)pentan-1-one
CID 65281608
2-(aminomethyl)-1-(4-methylazepan-1-yl)pentan-1-one
CID 63622647

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide (CID 65227502) is 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is CCCC(CN)C(=O)N1CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is FANCQWDTCYSHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-4-6-13(11-16)15(21)19-8-5-7-18(9-10-19)12-14(20)17(2)3/h13H,4-12,16H2,1-3H3.
What are the key properties of 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 298.43 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 65227502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).