4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide

C14H25N3O — CID 139307513

IUPAC4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CC=C(N)CC1C
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)9-8-16-14(18)13-7-6-12(15)10-11(13)3/h6-7,11H,4-5,8-10,15H2,1-3H3,(H,16,18)
InChIKeyWZSRRDMMKJTNOI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.25
Rot. Bonds6

About 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide

4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 139307513) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID139307513
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CC=C(N)CC1C
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)9-8-16-14(18)13-7-6-12(15)10-11(13)3/h6-7,11H,4-5,8-10,15H2,1-3H3,(H,16,18)
InChIKeyWZSRRDMMKJTNOI-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(6-butyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide (CID 139307513) is 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide is CCN(CC)CCNC(=O)C1=CC=C(N)CC1C.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is WZSRRDMMKJTNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17(5-2)9-8-16-14(18)13-7-6-12(15)10-11(13)3/h6-7,11H,4-5,8-10,15H2,1-3H3,(H,16,18).
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide?
4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-6-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 139307513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).