N-[3-(dimethylamino)hepta-3,5-dienyl]formamide

C10H18N2O — CID 123139611

IUPACN-[3-(dimethylamino)hepta-3,5-dienyl]formamide
SMILESCC=CC=C(CCNC=O)N(C)C
InChIInChI=1S/C10H18N2O/c1-4-5-6-10(12(2)3)7-8-11-9-13/h4-6,9H,7-8H2,1-3H3,(H,11,13)
InChIKeyUKTRXQAKZJAYTH-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.14
Rot. Bonds6

About N-[3-(dimethylamino)hepta-3,5-dienyl]formamide

N-[3-(dimethylamino)hepta-3,5-dienyl]formamide (PubChem CID 123139611) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[3-(dimethylamino)hepta-3,5-dienyl]formamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)hepta-3,5-dienyl]formamide
PubChem CID123139611
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[3-(dimethylamino)hepta-3,5-dienyl]formamide
SMILESCC=CC=C(CCNC=O)N(C)C
InChIInChI=1S/C10H18N2O/c1-4-5-6-10(12(2)3)7-8-11-9-13/h4-6,9H,7-8H2,1-3H3,(H,11,13)
InChIKeyUKTRXQAKZJAYTH-UHFFFAOYSA-N
XLogP1.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)hepta-3,5-dienyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-N-[(1E,3E)-1-fluoro-5-(methylamino)octa-1,3,6-trien-4-yl]formamide
CID 155348345
N-(6-amino-4,5-dimethylhexa-2,4-dien-2-yl)formamide
CID 123444825
N-[(1E,4Z)-5-aminohexa-1,4-dienyl]-N-[2-(ethylamino)ethyl]formamide
CID 134406426
N-[2-(ethylamino)ethyl]-N-[(3E,5Z)-6-(methylamino)hepta-3,5-dien-3-yl]formamide
CID 134406787
N-[(2Z,4E)-6-amino-4,5-dimethylhexa-2,4-dien-2-yl]formamide
CID 134525628
N-[(2E,4Z)-1-pyrrolidin-1-ylhepta-2,4-dien-3-yl]formamide
CID 139317795
2,2-dimethylpropane;N-[(3Z)-3-(methylideneamino)hexa-3,5-dienyl]formamide
CID 141975519
N-[7-[(dimethylamino)methyl]-5,5-dimethylcyclohepta-1,3,6-trien-1-yl]formamide
CID 143038779
N,4-dimethylcyclohepta-1,4,6-trien-1-amine;N-propylformamide
CID 143511069
N,3-dimethylcyclohepta-1,3,6-trien-1-amine;N-propan-2-ylformamide
CID 143511481
N-[(2Z,4E)-deca-2,4,6-trien-4-yl]formamide
CID 146210139
N-(4-aminocyclohepta-2,4,6-trien-1-yl)formamide
CID 146630480

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)hepta-3,5-dienyl]formamide?
The IUPAC name of N-[3-(dimethylamino)hepta-3,5-dienyl]formamide (CID 123139611) is N-[3-(dimethylamino)hepta-3,5-dienyl]formamide.
What is the SMILES notation for N-[3-(dimethylamino)hepta-3,5-dienyl]formamide?
The canonical SMILES for N-[3-(dimethylamino)hepta-3,5-dienyl]formamide is CC=CC=C(CCNC=O)N(C)C.
What is the InChIKey of N-[3-(dimethylamino)hepta-3,5-dienyl]formamide?
The InChIKey is UKTRXQAKZJAYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-6-10(12(2)3)7-8-11-9-13/h4-6,9H,7-8H2,1-3H3,(H,11,13).
What are the key properties of N-[3-(dimethylamino)hepta-3,5-dienyl]formamide?
N-[3-(dimethylamino)hepta-3,5-dienyl]formamide has a molecular weight of 182.27 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)hepta-3,5-dienyl]formamide is sourced from PubChem (CID 123139611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).