3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline

C16H26N2 — CID 114284812

IUPAC3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H26N2/c1-12(2)9-13(3)18-16-6-4-5-14(10-16)11-17-15-7-8-15/h4-6,10,12-13,15,17-18H,7-9,11H2,1-3H3
InChIKeyQIIKUIOSHFNOKO-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.79
Rot. Bonds7

About 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline

3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline (PubChem CID 114284812) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline
PubChem CID114284812
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)Nc1cccc(CNC2CC2)c1
InChIInChI=1S/C16H26N2/c1-12(2)9-13(3)18-16-6-4-5-14(10-16)11-17-15-7-8-15/h4-6,10,12-13,15,17-18H,7-9,11H2,1-3H3
InChIKeyQIIKUIOSHFNOKO-UHFFFAOYSA-N
XLogP3.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(cyclopropylamino)methyl]phenyl]-2-methylpropane-1-sulfonamide
CID 106911358
N-[(3-propan-2-ylphenyl)methyl]cyclopropanamine
CID 63886935
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
CID 106911597
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropanamine
CID 62455961
N-[[3-(4-methylpentylsulfanyl)phenyl]methyl]cyclopropanamine
CID 83169209
N-[(3-propan-2-ylphenyl)methyl]cyclopentanamine
CID 126684599
N-[[3-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 61484058
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline (CID 114284812) is 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)Nc1cccc(CNC2CC2)c1.
What is the InChIKey of 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline?
The InChIKey is QIIKUIOSHFNOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)9-13(3)18-16-6-4-5-14(10-16)11-17-15-7-8-15/h4-6,10,12-13,15,17-18H,7-9,11H2,1-3H3.
What are the key properties of 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline?
3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropylamino)methyl]-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 114284812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).