2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide

C15H32N4O — CID 43253014

IUPAC2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(CC(C)CN)CC1
InChIInChI=1S/C15H32N4O/c1-4-19(5-2)15(20)13-18-8-6-7-17(9-10-18)12-14(3)11-16/h14H,4-13,16H2,1-3H3
InChIKeyWQFCKLUNRCXFOX-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.46
Rot. Bonds7

About 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide

2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide (PubChem CID 43253014) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
PubChem CID43253014
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(CC(C)CN)CC1
InChIInChI=1S/C15H32N4O/c1-4-19(5-2)15(20)13-18-8-6-7-17(9-10-18)12-14(3)11-16/h14H,4-13,16H2,1-3H3
InChIKeyWQFCKLUNRCXFOX-UHFFFAOYSA-N
XLogP0.46
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide (CID 43253014) is 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCN(CC(C)CN)CC1.
What is the InChIKey of 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The InChIKey is WQFCKLUNRCXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-4-19(5-2)15(20)13-18-8-6-7-17(9-10-18)12-14(3)11-16/h14H,4-13,16H2,1-3H3.
What are the key properties of 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide has a molecular weight of 284.45 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 43253014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).