4-(3-aminopropyl)-N,N-dimethylaniline

C11H18N2 — CID 15703000

IUPAC4-(3-aminopropyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCCN)cc1
InChIInChI=1S/C11H18N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h5-8H,3-4,9,12H2,1-2H3
InChIKeyFDADHKBMNOCRMW-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.64
Rot. Bonds4

About 4-(3-aminopropyl)-N,N-dimethylaniline

4-(3-aminopropyl)-N,N-dimethylaniline (PubChem CID 15703000) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-aminopropyl)-N,N-dimethylaniline
PubChem CID15703000
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-(3-aminopropyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(CCCN)cc1
InChIInChI=1S/C11H18N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h5-8H,3-4,9,12H2,1-2H3
InChIKeyFDADHKBMNOCRMW-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.64
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

Dimethyl-p-toluidine
CID 7471
Leucomalachite green
CID 67215
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Leucocrystal Violet
CID 69048
Solvent Yellow 34
CID 10298
N,N-Diethyl-p-phenylenediamine
CID 7120
C.I. Basic Yellow 2
CID 17170
N-ethyl-3-methylaniline
CID 7603
2-Amino-5-(diethylamino)toluene
CID 67364
N,N-Diethyltoluene-2,5-diamine hydrochloride
CID 108623
4-Ethylaniline
CID 11504
4-Butylaniline
CID 7694

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-aminopropyl)-N,N-dimethylaniline (CID 15703000) is 4-(3-aminopropyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-aminopropyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-aminopropyl)-N,N-dimethylaniline is CN(C)c1ccc(CCCN)cc1.
What is the InChIKey of 4-(3-aminopropyl)-N,N-dimethylaniline?
The InChIKey is FDADHKBMNOCRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(2)11-7-5-10(6-8-11)4-3-9-12/h5-8H,3-4,9,12H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-N,N-dimethylaniline?
4-(3-aminopropyl)-N,N-dimethylaniline has a molecular weight of 178.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N,N-dimethylaniline is sourced from PubChem (CID 15703000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).