N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline

C16H26N2 — CID 62136236

IUPACN-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline
SMILESCCCCN(c1ccc(CNC)c(C)c1)C1CC1
InChIInChI=1S/C16H26N2/c1-4-5-10-18(15-8-9-15)16-7-6-14(12-17-3)13(2)11-16/h6-7,11,15,17H,4-5,8-10,12H2,1-3H3
InChIKeyHIWNTLVNEUYUMV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.48
Rot. Bonds7

About N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline

N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline (PubChem CID 62136236) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline
PubChem CID62136236
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline
SMILESCCCCN(c1ccc(CNC)c(C)c1)C1CC1
InChIInChI=1S/C16H26N2/c1-4-5-10-18(15-8-9-15)16-7-6-14(12-17-3)13(2)11-16/h6-7,11,15,17H,4-5,8-10,12H2,1-3H3
InChIKeyHIWNTLVNEUYUMV-UHFFFAOYSA-N
XLogP3.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-cyclohexyl-3-methyl-4-(methylaminomethyl)anilino]ethanol
CID 62130646
N-butyl-N-cyclopropyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246740
N-cyclopropyl-4-[(cyclopropylamino)methyl]-3-methyl-N-(3-methylbutyl)aniline
CID 78944932
N-butyl-4-[(cyclopropylamino)methyl]-N-ethyl-3-methylaniline
CID 55039009
N,N,3-trimethyl-4-(methylaminomethyl)aniline
CID 62135688
N-cyclopentyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62136544
2-amino-5-[butyl(cyclopropyl)amino]benzoic acid
CID 61443820
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
N,3-dimethyl-4-(methylaminomethyl)-N-pentan-2-ylaniline
CID 62134513
1-N-butyl-1-N-cyclopropyl-2-methylbenzene-1,4-diamine
CID 61440854
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
CID 62135216
N-butyl-N-cyclopropyl-6-(methylaminomethyl)pyridazin-3-amine
CID 62283591

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline?
The IUPAC name of N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline (CID 62136236) is N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline.
What is the SMILES notation for N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline?
The canonical SMILES for N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline is CCCCN(c1ccc(CNC)c(C)c1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline?
The InChIKey is HIWNTLVNEUYUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-5-10-18(15-8-9-15)16-7-6-14(12-17-3)13(2)11-16/h6-7,11,15,17H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline?
N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-3-methyl-4-(methylaminomethyl)aniline is sourced from PubChem (CID 62136236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).