4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide

C14H30N4O — CID 65074848

IUPAC4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-4-18(5-2)12-9-16-14(13(15)19)7-6-10-17(3)11-8-14/h16H,4-12H2,1-3H3,(H2,15,19)
InChIKeyUHFOGIAYYMARIS-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.26
Rot. Bonds7

About 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide

4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide (PubChem CID 65074848) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide
PubChem CID65074848
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCN(C)CC1
InChIInChI=1S/C14H30N4O/c1-4-18(5-2)12-9-16-14(13(15)19)7-6-10-17(3)11-8-14/h16H,4-12H2,1-3H3,(H2,15,19)
InChIKeyUHFOGIAYYMARIS-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide?
The IUPAC name of 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide (CID 65074848) is 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide is CCN(CC)CCNC1(C(N)=O)CCCN(C)CC1.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide?
The InChIKey is UHFOGIAYYMARIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-4-18(5-2)12-9-16-14(13(15)19)7-6-10-17(3)11-8-14/h16H,4-12H2,1-3H3,(H2,15,19).
What are the key properties of 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide?
4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide is sourced from PubChem (CID 65074848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).