N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline

C17H28N2 — CID 63072459

IUPACN-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccccc1N(C)CC1CCC1
InChIInChI=1S/C17H28N2/c1-14(2)11-18-12-16-9-4-5-10-17(16)19(3)13-15-7-6-8-15/h4-5,9-10,14-15,18H,6-8,11-13H2,1-3H3
InChIKeyXBQSOHTZDPRSMV-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.67
Rot. Bonds7

About N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline

N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 63072459) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
PubChem CID63072459
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccccc1N(C)CC1CCC1
InChIInChI=1S/C17H28N2/c1-14(2)11-18-12-16-9-4-5-10-17(16)19(3)13-15-7-6-8-15/h4-5,9-10,14-15,18H,6-8,11-13H2,1-3H3
InChIKeyXBQSOHTZDPRSMV-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
N-(cyclopentylmethyl)-N-methyl-2-(methylaminomethyl)aniline
CID 63630728
N-(cyclohexylmethyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62287115
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
2-(2-aminobutyl)-N-(cyclobutylmethyl)-N-methylaniline
CID 63793613
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
CID 60984636
N-[[2-(cyclopentylmethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 66322072
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63552275
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline (CID 63072459) is N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1ccccc1N(C)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is XBQSOHTZDPRSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)11-18-12-16-9-4-5-10-17(16)19(3)13-15-7-6-8-15/h4-5,9-10,14-15,18H,6-8,11-13H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline?
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 260.43 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63072459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).