4-(aminomethyl)-N-pentan-2-ylaniline

C12H20N2 — CID 107886094

IUPAC4-(aminomethyl)-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(CN)cc1
InChIInChI=1S/C12H20N2/c1-3-4-10(2)14-12-7-5-11(9-13)6-8-12/h5-8,10,14H,3-4,9,13H2,1-2H3
InChIKeyXJALPRBSETYRKH-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.75
Rot. Bonds5

About 4-(aminomethyl)-N-pentan-2-ylaniline

4-(aminomethyl)-N-pentan-2-ylaniline (PubChem CID 107886094) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-(aminomethyl)-N-pentan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-pentan-2-ylaniline
PubChem CID107886094
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-(aminomethyl)-N-pentan-2-ylaniline
SMILESCCCC(C)Nc1ccc(CN)cc1
InChIInChI=1S/C12H20N2/c1-3-4-10(2)14-12-7-5-11(9-13)6-8-12/h5-8,10,14H,3-4,9,13H2,1-2H3
InChIKeyXJALPRBSETYRKH-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(pentan-2-ylamino)phenyl]ethanol
CID 61237126
4-(aminomethyl)-N-propan-2-ylaniline
CID 62103624
4-fluoro-N-pentan-2-ylaniline
CID 15724808
4-(2-aminoethoxy)-N-pentan-2-ylaniline
CID 107886099
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-(pentan-2-ylamino)benzamide
CID 43193030
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900
4-N-pentan-2-ylbenzene-1,2,4-triamine
CID 106750233
3-ethyl-N-pentan-2-ylaniline
CID 43102191
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
CID 159136598
2-N,2-N-dimethyl-5-N-pentan-2-ylpyridine-2,5-diamine
CID 43690557

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-pentan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-pentan-2-ylaniline (CID 107886094) is 4-(aminomethyl)-N-pentan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-pentan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-pentan-2-ylaniline is CCCC(C)Nc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-pentan-2-ylaniline?
The InChIKey is XJALPRBSETYRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-10(2)14-12-7-5-11(9-13)6-8-12/h5-8,10,14H,3-4,9,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-pentan-2-ylaniline?
4-(aminomethyl)-N-pentan-2-ylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-pentan-2-ylaniline is sourced from PubChem (CID 107886094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).