2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline

C18H32N2 — CID 107870537

IUPAC2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline
SMILESCNCc1ccccc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C18H32N2/c1-15(2)10-12-20(13-11-16(3)4)18-9-7-6-8-17(18)14-19-5/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyQWGASRAXPBQDEL-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.30
Rot. Bonds9

About 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline

2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline (PubChem CID 107870537) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline
PubChem CID107870537
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline
SMILESCNCc1ccccc1N(CCC(C)C)CCC(C)C
InChIInChI=1S/C18H32N2/c1-15(2)10-12-20(13-11-16(3)4)18-9-7-6-8-17(18)14-19-5/h6-9,15-16,19H,10-14H2,1-5H3
InChIKeyQWGASRAXPBQDEL-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
N,N,N'-trimethyl-N'-[2-(methylaminomethyl)phenyl]ethane-1,2-diamine
CID 63699905
N-methyl-2-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)aniline
CID 81057315
2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008622
N-methyl-3-(methylaminomethyl)-N-(3-methylbutyl)pyridin-2-amine
CID 62294745
N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 55072302
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
[2-[bis(2-methylpropyl)amino]phenyl]methanol
CID 61378074
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline?
The IUPAC name of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline (CID 107870537) is 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline.
What is the SMILES notation for 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline?
The canonical SMILES for 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline is CNCc1ccccc1N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline?
The InChIKey is QWGASRAXPBQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-15(2)10-12-20(13-11-16(3)4)18-9-7-6-8-17(18)14-19-5/h6-9,15-16,19H,10-14H2,1-5H3.
What are the key properties of 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline?
2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline has a molecular weight of 276.47 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-N,N-bis(3-methylbutyl)aniline is sourced from PubChem (CID 107870537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).