4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline

C14H24N2 — CID 63783737

IUPAC4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(CCN)cc1)C(C)C
InChIInChI=1S/C14H24N2/c1-4-11-16(12(2)3)14-7-5-13(6-8-14)9-10-15/h5-8,12H,4,9-11,15H2,1-3H3
InChIKeyWZXKZWBKRHWBEN-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.81
Rot. Bonds6

About 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline

4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline (PubChem CID 63783737) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
PubChem CID63783737
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline
SMILESCCCN(c1ccc(CCN)cc1)C(C)C
InChIInChI=1S/C14H24N2/c1-4-11-16(12(2)3)14-7-5-13(6-8-14)9-10-15/h5-8,12H,4,9-11,15H2,1-3H3
InChIKeyWZXKZWBKRHWBEN-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[propan-2-yl(propyl)amino]benzenecarbothioamide
CID 43269754
4-ethyl-N-(3-phenylpropyl)-N-propan-2-ylaniline
CID 67867455
1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
CID 126713383
4-(2-aminoethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 63782370
3-(2-aminoethyl)-5-fluoro-N-pentyl-N-propan-2-ylaniline
CID 106532663
1-propan-2-yl-1-(4-propylphenyl)hydrazine
CID 146617332
2-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 62300700
5-[propan-2-yl(propyl)amino]pyridine-2-carbothioamide
CID 115488219
4-(aminomethyl)-2-methyl-N-propan-2-yl-N-propylaniline
CID 60930279
4-(aminomethyl)-N-(3-methoxypropyl)-N-propan-2-ylaniline
CID 54935598
N-[4-(2-aminoethyl)phenyl]-2-ethyl-N-methylbutanamide
CID 28755474
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline?
The IUPAC name of 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline (CID 63783737) is 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline?
The canonical SMILES for 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline is CCCN(c1ccc(CCN)cc1)C(C)C.
What is the InChIKey of 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline?
The InChIKey is WZXKZWBKRHWBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-11-16(12(2)3)14-7-5-13(6-8-14)9-10-15/h5-8,12H,4,9-11,15H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline?
4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline has a molecular weight of 220.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-propan-2-yl-N-propylaniline is sourced from PubChem (CID 63783737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).