ethane;N-ethyl-4-propan-2-yl-N-propylaniline

C16H29N — CID 145169701

IUPACethane;N-ethyl-4-propan-2-yl-N-propylaniline
SMILESCC.CCCN(CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23N.C2H6/c1-5-11-15(6-2)14-9-7-13(8-10-14)12(3)4;1-2/h7-10,12H,5-6,11H2,1-4H3;1-2H3
InChIKeyJHAWAMFBVFPVTP-UHFFFAOYSA-N
MW235.41 g/mol
LogP5.07
Rot. Bonds5

About ethane;N-ethyl-4-propan-2-yl-N-propylaniline

ethane;N-ethyl-4-propan-2-yl-N-propylaniline (PubChem CID 145169701) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;N-ethyl-4-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Nameethane;N-ethyl-4-propan-2-yl-N-propylaniline
PubChem CID145169701
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;N-ethyl-4-propan-2-yl-N-propylaniline
SMILESCC.CCCN(CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C14H23N.C2H6/c1-5-11-15(6-2)14-9-7-13(8-10-14)12(3)4;1-2/h7-10,12H,5-6,11H2,1-4H3;1-2H3
InChIKeyJHAWAMFBVFPVTP-UHFFFAOYSA-N
XLogP5.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500235.41
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze ethane;N-ethyl-4-propan-2-yl-N-propylaniline 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'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
4-(1-aminoethyl)-N-ethyl-N-propylaniline
CID 43268863
4-(bromomethyl)-N-ethyl-N-propylaniline
CID 107079955
N-butyl-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 43284157
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
CID 22327727
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
4-[[4-(dipropylamino)phenyl]-propan-2-yloxymethyl]-N,N-dipropylaniline
CID 139775175
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
4-ethenyl-N-ethyl-N-propylaniline
CID 89377389
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-4-propan-2-yl-N-propylaniline?
The IUPAC name of ethane;N-ethyl-4-propan-2-yl-N-propylaniline (CID 145169701) is ethane;N-ethyl-4-propan-2-yl-N-propylaniline.
What is the SMILES notation for ethane;N-ethyl-4-propan-2-yl-N-propylaniline?
The canonical SMILES for ethane;N-ethyl-4-propan-2-yl-N-propylaniline is CC.CCCN(CC)c1ccc(C(C)C)cc1.
What is the InChIKey of ethane;N-ethyl-4-propan-2-yl-N-propylaniline?
The InChIKey is JHAWAMFBVFPVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-5-11-15(6-2)14-9-7-13(8-10-14)12(3)4;1-2/h7-10,12H,5-6,11H2,1-4H3;1-2H3.
What are the key properties of ethane;N-ethyl-4-propan-2-yl-N-propylaniline?
ethane;N-ethyl-4-propan-2-yl-N-propylaniline has a molecular weight of 235.41 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-4-propan-2-yl-N-propylaniline is sourced from PubChem (CID 145169701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).