N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline

C14H19N — CID 129113353

IUPACN-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline
SMILESC=C(C)C(=C)N(CCC)c1ccccc1
InChIInChI=1S/C14H19N/c1-5-11-15(13(4)12(2)3)14-9-7-6-8-10-14/h6-10H,2,4-5,11H2,1,3H3
InChIKeyZPASKNHAKNYDMO-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.99
Rot. Bonds5

About N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline

N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline (PubChem CID 129113353) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline.

Molecular Properties

Compound NameN-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline
PubChem CID129113353
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC NameN-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline
SMILESC=C(C)C(=C)N(CCC)c1ccccc1
InChIInChI=1S/C14H19N/c1-5-11-15(13(4)12(2)3)14-9-7-6-8-10-14/h6-10H,2,4-5,11H2,1,3H3
InChIKeyZPASKNHAKNYDMO-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-phenyl-N-propylpropanamide
CID 118001559
3-carbamothioyl-1-phenyl-1-propylthiourea
CID 24835818
propyl N-phenyl-N-propylcarbamodithioate
CID 141103527
1,3-diethyl-1,3-diphenylselenourea
CID 134917239
(1Z)-1-N,3-dimethyl-1-N-phenyl-1-N',1-N'-dipropylbuta-1,3-diene-1,1-diamine
CID 135303694
N,N-dipropylaniline;ethane
CID 142135231
N-hexyl-N-phenylacetamide
CID 13217997
3-(ethylcarbamothioyl)-1-phenyl-1-propylthiourea
CID 24835810
N-butyl-N-phenylprop-2-enamide
CID 43619884
N,N-dimethylaniline;N,N-dipropylpropan-1-amine
CID 67813057
N'-phenyl-N'-propylacetohydrazide
CID 100919129
6-[phenyl(propyl)carbamoyl]bicyclo[2.2.2]oct-7-ene-2,3,5-tricarboxylic acid
CID 142632197

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline?
The IUPAC name of N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline (CID 129113353) is N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline.
What is the SMILES notation for N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline?
The canonical SMILES for N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline is C=C(C)C(=C)N(CCC)c1ccccc1.
What is the InChIKey of N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline?
The InChIKey is ZPASKNHAKNYDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-11-15(13(4)12(2)3)14-9-7-6-8-10-14/h6-10H,2,4-5,11H2,1,3H3.
What are the key properties of N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline?
N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline has a molecular weight of 201.31 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbuta-1,3-dien-2-yl)-N-propylaniline is sourced from PubChem (CID 129113353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).