N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline

C18H32N2 — CID 63552325

IUPACN-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCc1cc(N(C)CC(C)(C)C)ccc1CNCC(C)C
InChIInChI=1S/C18H32N2/c1-14(2)11-19-12-16-8-9-17(10-15(16)3)20(7)13-18(4,5)6/h8-10,14,19H,11-13H2,1-7H3
InChIKeyOOBMHOQUBMDJII-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.22
Rot. Bonds6

About N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline

N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline (PubChem CID 63552325) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline
PubChem CID63552325
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline
SMILESCc1cc(N(C)CC(C)(C)C)ccc1CNCC(C)C
InChIInChI=1S/C18H32N2/c1-14(2)11-19-12-16-8-9-17(10-15(16)3)20(7)13-18(4,5)6/h8-10,14,19H,11-13H2,1-7H3
InChIKeyOOBMHOQUBMDJII-UHFFFAOYSA-N
XLogP4.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.22
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

N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 62289015
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
N-(cyclopropylmethyl)-3-methyl-4-[(2-methylpropylamino)methyl]-N-propylaniline
CID 63551176
N,3-dimethyl-4-(methylaminomethyl)-N-(3-methylbutyl)aniline
CID 62135727
4-[2,2-dimethylpropyl(methyl)amino]-2-methylbenzoic acid
CID 55038670
N-(2,2-dimethylpropyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287062
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
2-[4-(ethylaminomethyl)-N,3-dimethylanilino]propan-1-ol
CID 104552910
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
CID 63551530
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
N-[(4-butan-2-ylsulfanyl-2-methylphenyl)methyl]-2-methylpropan-1-amine
CID 63807103

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline (CID 63552325) is N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline is Cc1cc(N(C)CC(C)(C)C)ccc1CNCC(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
The InChIKey is OOBMHOQUBMDJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-14(2)11-19-12-16-8-9-17(10-15(16)3)20(7)13-18(4,5)6/h8-10,14,19H,11-13H2,1-7H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline?
N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline has a molecular weight of 276.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,3-dimethyl-4-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63552325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).