1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide

C12H20N2O — CID 70509937

IUPAC1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)CCCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C12H20N2O/c1-14(2)10-6-9-12(11(13)15)7-4-3-5-8-12/h3-5,7H,6,8-10H2,1-2H3,(H2,13,15)
InChIKeyWYBLSGNQKOUIKL-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.32
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide

1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 70509937) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
PubChem CID70509937
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide
SMILESCN(C)CCCC1(C(N)=O)C=CC=CC1
InChIInChI=1S/C12H20N2O/c1-14(2)10-6-9-12(11(13)15)7-4-3-5-8-12/h3-5,7H,6,8-10H2,1-2H3,(H2,13,15)
InChIKeyWYBLSGNQKOUIKL-UHFFFAOYSA-N
XLogP1.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)ethyl]cyclohexa-2,4-diene-1-carboxamide
CID 70509598
1-[1-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 141023556
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
2-[3-(dimethylamino)propyl-methylamino]propanamide
CID 63698900
3-(dimethylamino)propylsulfanylurea
CID 174340233
[3-(dimethylamino)propylamino]urea
CID 118451247
N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
(1-octylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 171390693
N,N,N'-trimethyl-N'-(1-methylcyclohexa-2,4-dien-1-yl)methanediamine
CID 122468443
3-(dimethylamino)propyl 3-methylbutanoate
CID 58070061
(1-aminocyclohexa-2,4-dien-1-yl)urea
CID 21247398
1-[3-(dimethylamino)propyl]cyclopentan-1-ol
CID 115073760

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide (CID 70509937) is 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide is CN(C)CCCC1(C(N)=O)C=CC=CC1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is WYBLSGNQKOUIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(2)10-6-9-12(11(13)15)7-4-3-5-8-12/h3-5,7H,6,8-10H2,1-2H3,(H2,13,15).
What are the key properties of 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide?
1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 208.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 70509937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).