N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline

C19H34N2 — CID 63552275

IUPACN,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccccc1N(CC(C)C)CC(C)C
InChIInChI=1S/C19H34N2/c1-15(2)11-20-12-18-9-7-8-10-19(18)21(13-16(3)4)14-17(5)6/h7-10,15-17,20H,11-14H2,1-6H3
InChIKeyQVQHJGZLQGEPFL-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.55
Rot. Bonds9

About N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline

N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline (PubChem CID 63552275) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
PubChem CID63552275
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
SMILESCC(C)CNCc1ccccc1N(CC(C)C)CC(C)C
InChIInChI=1S/C19H34N2/c1-15(2)11-20-12-18-9-7-8-10-19(18)21(13-16(3)4)14-17(5)6/h7-10,15-17,20H,11-14H2,1-6H3
InChIKeyQVQHJGZLQGEPFL-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551148
N,N-dimethyl-2-[(2-methylpropylamino)methyl]aniline
CID 63058925
N-ethyl-N-(2-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 79481296
[2-[bis(2-methylpropyl)amino]phenyl]methanol
CID 61378074
2-[N-ethyl-2-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 63070317
2-(ethylaminomethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 43281923
N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63072459
N-methyl-2-[N-methyl-2-[(2-methylpropylamino)methyl]anilino]acetamide
CID 63059313
N-methyl-2-[(2-methylpropylamino)methyl]-N-(pyridin-2-ylmethyl)aniline
CID 63060222
N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)aniline
CID 63059318
2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63070903
2-methyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]propan-1-amine
CID 104546902

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline (CID 63552275) is N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline is CC(C)CNCc1ccccc1N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
The InChIKey is QVQHJGZLQGEPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-15(2)11-20-12-18-9-7-8-10-19(18)21(13-16(3)4)14-17(5)6/h7-10,15-17,20H,11-14H2,1-6H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline?
N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline has a molecular weight of 290.50 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[(2-methylpropylamino)methyl]aniline is sourced from PubChem (CID 63552275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).