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

C14H30N4O — CID 55061438

IUPAC3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCCN(CC(C)CN)CC1
InChIInChI=1S/C14H30N4O/c1-3-16-14(19)5-8-17-6-4-7-18(10-9-17)12-13(2)11-15/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyKDSZNMYVGVQVGI-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.12
Rot. Bonds7

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

3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide (PubChem CID 55061438) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide
PubChem CID55061438
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCCN(CC(C)CN)CC1
InChIInChI=1S/C14H30N4O/c1-3-16-14(19)5-8-17-6-4-7-18(10-9-17)12-13(2)11-15/h13H,3-12,15H2,1-2H3,(H,16,19)
InChIKeyKDSZNMYVGVQVGI-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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide (CID 55061438) is 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide is CCNC(=O)CCN1CCCN(CC(C)CN)CC1.
What is the InChIKey of 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide?
The InChIKey is KDSZNMYVGVQVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-3-16-14(19)5-8-17-6-4-7-18(10-9-17)12-13(2)11-15/h13H,3-12,15H2,1-2H3,(H,16,19).
What are the key properties of 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide?
3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide 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 3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 55061438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).