2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine

C14H21N — CID 90317419

IUPAC2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine
SMILESC=C(CNC(C)(C)CC)c1ccccc1
InChIInChI=1S/C14H21N/c1-5-14(3,4)15-11-12(2)13-9-7-6-8-10-13/h6-10,15H,2,5,11H2,1,3-4H3
InChIKeyCQHFCMGZGJAVMK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.48
Rot. Bonds5

About 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine

2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine (PubChem CID 90317419) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine
PubChem CID90317419
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine
SMILESC=C(CNC(C)(C)CC)c1ccccc1
InChIInChI=1S/C14H21N/c1-5-14(3,4)15-11-12(2)13-9-7-6-8-10-13/h6-10,15H,2,5,11H2,1,3-4H3
InChIKeyCQHFCMGZGJAVMK-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol
CID 113288152
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106292785
2,4-dimethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 113288185
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
pent-1-en-2-ylbenzene
CID 521761
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
1-(dimethylamino)-2-methyl-3-(2-phenylprop-2-enylamino)propan-2-ol
CID 106147571
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
2-phenylprop-2-en-1-amine;propane
CID 143101756
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106285486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine?
The IUPAC name of 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine (CID 90317419) is 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine.
What is the SMILES notation for 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine?
The canonical SMILES for 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine is C=C(CNC(C)(C)CC)c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine?
The InChIKey is CQHFCMGZGJAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-5-14(3,4)15-11-12(2)13-9-7-6-8-10-13/h6-10,15H,2,5,11H2,1,3-4H3.
What are the key properties of 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine?
2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylprop-2-enyl)butan-2-amine is sourced from PubChem (CID 90317419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).