2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide

C14H30N4O — CID 43251542

IUPAC2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCCN(CCCN)CC1
InChIInChI=1S/C14H30N4O/c1-13(2)11-16-14(19)12-18-8-4-7-17(9-10-18)6-3-5-15/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyOEEGAMFPIGZNFO-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.12
Rot. Bonds7

About 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide

2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 43251542) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID43251542
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCCN(CCCN)CC1
InChIInChI=1S/C14H30N4O/c1-13(2)11-16-14(19)12-18-8-4-7-17(9-10-18)6-3-5-15/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyOEEGAMFPIGZNFO-UHFFFAOYSA-N
XLogP0.12
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43251325
2-[4-(5-aminopentyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 43253086
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-butylacetamide
CID 61485839
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 54956375
2-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-carbamoylacetamide
CID 43253136
2-[4-(4-aminobutyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 43252753
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)propanamide
CID 43252717
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 61488098
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 30673207

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide (CID 43251542) is 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCCN(CCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is OEEGAMFPIGZNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-13(2)11-16-14(19)12-18-8-4-7-17(9-10-18)6-3-5-15/h13H,3-12,15H2,1-2H3,(H,16,19).
What are the key properties of 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide?
2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 270.42 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 43251542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).