4-[[hexan-3-yl(methyl)amino]methyl]aniline

C14H24N2 — CID 143173998

IUPAC4-[[hexan-3-yl(methyl)amino]methyl]aniline
SMILESCCCC(CC)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-6-14(5-2)16(3)11-12-7-9-13(15)10-8-12/h7-10,14H,4-6,11,15H2,1-3H3
InChIKeyZOJIWRTUPYNIBA-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.28
Rot. Bonds6

About 4-[[hexan-3-yl(methyl)amino]methyl]aniline

4-[[hexan-3-yl(methyl)amino]methyl]aniline (PubChem CID 143173998) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[[hexan-3-yl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[hexan-3-yl(methyl)amino]methyl]aniline
PubChem CID143173998
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[[hexan-3-yl(methyl)amino]methyl]aniline
SMILESCCCC(CC)N(C)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2/c1-4-6-14(5-2)16(3)11-12-7-9-13(15)10-8-12/h7-10,14H,4-6,11,15H2,1-3H3
InChIKeyZOJIWRTUPYNIBA-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminophenyl)methyl-methylamino]propane-1,3-diol
CID 18472400
2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43211746
4-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891822
N-methyl-N-(pyridin-4-ylmethyl)heptan-3-amine
CID 143141535
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
4-[[methyl(propyl)amino]methyl]aniline
CID 23506800
3-[(4-aminophenyl)methyl-methylamino]butanenitrile
CID 63225440
N-[(4-aminophenyl)methyl]-N-propan-2-ylethanesulfonamide
CID 43460051
2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
CID 43383798
1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 83043630
4-[[methoxy(methyl)amino]methyl]aniline
CID 43627616
4-[[(4-ethylphenyl)methyl-methylamino]methyl]aniline
CID 43587265

Frequently Asked Questions

What is the IUPAC name of 4-[[hexan-3-yl(methyl)amino]methyl]aniline?
The IUPAC name of 4-[[hexan-3-yl(methyl)amino]methyl]aniline (CID 143173998) is 4-[[hexan-3-yl(methyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[hexan-3-yl(methyl)amino]methyl]aniline?
The canonical SMILES for 4-[[hexan-3-yl(methyl)amino]methyl]aniline is CCCC(CC)N(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[hexan-3-yl(methyl)amino]methyl]aniline?
The InChIKey is ZOJIWRTUPYNIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-14(5-2)16(3)11-12-7-9-13(15)10-8-12/h7-10,14H,4-6,11,15H2,1-3H3.
What are the key properties of 4-[[hexan-3-yl(methyl)amino]methyl]aniline?
4-[[hexan-3-yl(methyl)amino]methyl]aniline has a molecular weight of 220.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[hexan-3-yl(methyl)amino]methyl]aniline is sourced from PubChem (CID 143173998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).