2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide

C9H20N4O — CID 43252657

IUPAC2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide
SMILESNCCN1CCCN(CC(N)=O)CC1
InChIInChI=1S/C9H20N4O/c10-2-5-12-3-1-4-13(7-6-12)8-9(11)14/h1-8,10H2,(H2,11,14)
InChIKeyXKKJFYLBKURAQX-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.56
Rot. Bonds4

About 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide

2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 43252657) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide
PubChem CID43252657
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide
SMILESNCCN1CCCN(CC(N)=O)CC1
InChIInChI=1S/C9H20N4O/c10-2-5-12-3-1-4-13(7-6-12)8-9(11)14/h1-8,10H2,(H2,11,14)
InChIKeyXKKJFYLBKURAQX-UHFFFAOYSA-N
XLogP-1.56
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)acetamide
CID 18923030
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]acetamide
CID 63309616
λ2-plumbane;2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 163474801
2-[7-(2-amino-2-oxoethyl)-4,10-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 101001022
5-[4-(2-aminoethyl)piperazin-1-yl]pentanamide
CID 176925582
2-[4-(3-amino-3-oxopropyl)-1,4-diazepan-1-yl]acetic acid
CID 62823266
2-[7-(2-amino-2-oxoethyl)-4-(carboxymethyl)-10-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 170255326
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
CID 43253136
ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
2-[4-(chloromethylsulfonyl)-1,4-diazepan-1-yl]acetamide
CID 63666188
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 43253151
methane;2-piperidin-1-ylethanamine
CID 158303452

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide (CID 43252657) is 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide is NCCN1CCCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is XKKJFYLBKURAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c10-2-5-12-3-1-4-13(7-6-12)8-9(11)14/h1-8,10H2,(H2,11,14).
What are the key properties of 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide?
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 200.29 g/mol, XLogP of -1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 43252657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).