N-prop-2-enyl-N-propylaniline;hydrochloride

C12H18ClN — CID 131737394

IUPACN-prop-2-enyl-N-propylaniline;hydrochloride
SMILESC=CCN(CCC)c1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;/h3,5-9H,1,4,10-11H2,2H3;1H
InChIKeyHRMULCRCJDUORB-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.51
Rot. Bonds5

About N-prop-2-enyl-N-propylaniline;hydrochloride

N-prop-2-enyl-N-propylaniline;hydrochloride (PubChem CID 131737394) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is N-prop-2-enyl-N-propylaniline;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enyl-N-propylaniline;hydrochloride
PubChem CID131737394
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC NameN-prop-2-enyl-N-propylaniline;hydrochloride
SMILESC=CCN(CCC)c1ccccc1.Cl
InChIInChI=1S/C12H17N.ClH/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;/h3,5-9H,1,4,10-11H2,2H3;1H
InChIKeyHRMULCRCJDUORB-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-phenyl-N'-prop-2-enylethane-1,2-diamine
CID 67884989
N,N-dipropylaniline;ethane
CID 142135231
trimethyl-[2-(N-prop-2-enylanilino)ethyl]azanium iodide
CID 14450561
N-benzyl-N-propylaniline
CID 14671265
CID 11374036
CID 11374036
N,N-dibutylaniline;propane;prop-1-ene
CID 142114632
3-[4-(dimethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317597
3-[4-(diethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317527
3-(N-propylanilino)propan-1-ol
CID 101291000
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
lithium;hydride;N-phenyl-N-prop-2-enylaniline
CID 174146477
4-[pentyl(prop-2-enyl)amino]benzaldehyde
CID 88509633

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-propylaniline;hydrochloride?
The IUPAC name of N-prop-2-enyl-N-propylaniline;hydrochloride (CID 131737394) is N-prop-2-enyl-N-propylaniline;hydrochloride.
What is the SMILES notation for N-prop-2-enyl-N-propylaniline;hydrochloride?
The canonical SMILES for N-prop-2-enyl-N-propylaniline;hydrochloride is C=CCN(CCC)c1ccccc1.Cl.
What is the InChIKey of N-prop-2-enyl-N-propylaniline;hydrochloride?
The InChIKey is HRMULCRCJDUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-3-10-13(11-4-2)12-8-6-5-7-9-12;/h3,5-9H,1,4,10-11H2,2H3;1H.
What are the key properties of N-prop-2-enyl-N-propylaniline;hydrochloride?
N-prop-2-enyl-N-propylaniline;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-propylaniline;hydrochloride is sourced from PubChem (CID 131737394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).