2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline

C14H22N2 — CID 104868604

IUPAC2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CN(C)c1ccccc1[C@@H](N)CC
InChIInChI=1S/C14H22N2/c1-5-13(15)12-8-6-7-9-14(12)16(4)10-11(2)3/h6-9,13H,2,5,10,15H2,1,3-4H3/t13-/m0/s1
InChIKeyJCUVRURZCMSWSG-ZDUSSCGKSA-N
MW218.34 g/mol
LogP3.11
Rot. Bonds5

About 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline

2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline (PubChem CID 104868604) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
PubChem CID104868604
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CN(C)c1ccccc1[C@@H](N)CC
InChIInChI=1S/C14H22N2/c1-5-13(15)12-8-6-7-9-14(12)16(4)10-11(2)3/h6-9,13H,2,5,10,15H2,1,3-4H3/t13-/m0/s1
InChIKeyJCUVRURZCMSWSG-ZDUSSCGKSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 103958943
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415190
2-(1-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415288
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-N-methylaniline
CID 115994942
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline?
The IUPAC name of 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline (CID 104868604) is 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline is C=C(C)CN(C)c1ccccc1[C@@H](N)CC.
What is the InChIKey of 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline?
The InChIKey is JCUVRURZCMSWSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-13(15)12-8-6-7-9-14(12)16(4)10-11(2)3/h6-9,13H,2,5,10,15H2,1,3-4H3/t13-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline?
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline has a molecular weight of 218.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 104868604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).