N-benzyl-N-methylbutan-2-amine

C12H19N — CID 15496809

IUPACN-benzyl-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-4-11(2)13(3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyUPZBLDNTURXJKB-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.92
Rot. Bonds4

About N-benzyl-N-methylbutan-2-amine

N-benzyl-N-methylbutan-2-amine (PubChem CID 15496809) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-benzyl-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methylbutan-2-amine
PubChem CID15496809
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-benzyl-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1ccccc1
InChIInChI=1S/C12H19N/c1-4-11(2)13(3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeyUPZBLDNTURXJKB-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-methyl-1-phenylpropan-2-amine
CID 2341
N-benzyl-N-methylheptan-2-amine
CID 101048002
2-N-benzyl-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 62424367
(2R)-N-benzyl-N-methyl-1-[(S)-methylsulfinyl]propan-2-amine
CID 124594306
(1S)-N-benzyl-N-methyl-1-phenylethanamine
CID 122522292
methyl (3R)-3-[benzyl(methyl)amino]butanoate
CID 11680162
2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 62558509
benzyl(butan-2-yl)carbamic acid
CID 18954164
2-[benzyl(methyl)amino]propyl carbonochloridate
CID 22165929
3-[benzyl(methyl)amino]butanehydrazide
CID 63568867
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
3-[benzyl(methyl)amino]-2-methylbutan-2-ol
CID 130666424

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylbutan-2-amine?
The IUPAC name of N-benzyl-N-methylbutan-2-amine (CID 15496809) is N-benzyl-N-methylbutan-2-amine.
What is the SMILES notation for N-benzyl-N-methylbutan-2-amine?
The canonical SMILES for N-benzyl-N-methylbutan-2-amine is CCC(C)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylbutan-2-amine?
The InChIKey is UPZBLDNTURXJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11(2)13(3)10-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of N-benzyl-N-methylbutan-2-amine?
N-benzyl-N-methylbutan-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylbutan-2-amine is sourced from PubChem (CID 15496809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).