N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine

C18H32N2 — CID 62432288

IUPACN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-17(8-2)20(6)14-16-11-9-15(10-12-16)13-19-18(3,4)5/h9-12,17,19H,7-8,13-14H2,1-6H3
InChIKeyZJQQZGWEXWJLRC-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.20
Rot. Bonds7

About N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine

N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine (PubChem CID 62432288) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
PubChem CID62432288
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)Cc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C18H32N2/c1-7-17(8-2)20(6)14-16-11-9-15(10-12-16)13-19-18(3,4)5/h9-12,17,19H,7-8,13-14H2,1-6H3
InChIKeyZJQQZGWEXWJLRC-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]phenyl]methyl]propan-2-amine
CID 115987875
2-N-benzyl-1-N-tert-butyl-2-N-methylbutane-1,2-diamine
CID 62424737
N-[[2-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine
CID 62433557
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N,2-dimethylpropan-1-amine
CID 62421672
N-[[3-[(tert-butylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 62417355
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346738
2-methyl-N-[[4-[2-[methyl(propan-2-yl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 62424640
1-N-tert-butyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 62417488
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207
1-N-tert-butyl-2-N-[(4-chlorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62413585
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine?
The IUPAC name of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine (CID 62432288) is N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine is CCC(CC)N(C)Cc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine?
The InChIKey is ZJQQZGWEXWJLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-7-17(8-2)20(6)14-16-11-9-15(10-12-16)13-19-18(3,4)5/h9-12,17,19H,7-8,13-14H2,1-6H3.
What are the key properties of N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine?
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine has a molecular weight of 276.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-N-methylpentan-3-amine is sourced from PubChem (CID 62432288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).