N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline

C17H30N2 — CID 55008722

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)C(C)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-7-12-18-13-15-10-8-9-11-16(15)19(6)14(2)17(3,4)5/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyLWORIOKFNBABFD-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.06
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline

N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline (PubChem CID 55008722) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
PubChem CID55008722
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline
SMILESCCCNCc1ccccc1N(C)C(C)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-7-12-18-13-15-10-8-9-11-16(15)19(6)14(2)17(3,4)5/h8-11,14,18H,7,12-13H2,1-6H3
InChIKeyLWORIOKFNBABFD-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
2-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 43280883
N-cyclopentyl-N-methyl-2-(propylaminomethyl)aniline
CID 43281753
N-methyl-N-[(4-methylphenyl)methyl]-2-(propylaminomethyl)aniline
CID 43281348
N-(4-ethylphenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 63551774
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
N-[(4-chlorophenyl)methyl]-N-methyl-2-(propylaminomethyl)aniline
CID 63552832
N-ethyl-N-(4-methylphenyl)-2-(propylaminomethyl)aniline
CID 63551592
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895
N-(1-cyclopropylethyl)-2-(ethylaminomethyl)-N-methylaniline
CID 43569387

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline (CID 55008722) is N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline is CCCNCc1ccccc1N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline?
The InChIKey is LWORIOKFNBABFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-12-18-13-15-10-8-9-11-16(15)19(6)14(2)17(3,4)5/h8-11,14,18H,7,12-13H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline?
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline has a molecular weight of 262.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(propylaminomethyl)aniline is sourced from PubChem (CID 55008722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).