N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine

C14H21N — CID 75598908

IUPACN-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
SMILESCCC(C)NCC(C)=Cc1ccccc1
InChIInChI=1S/C14H21N/c1-4-13(3)15-11-12(2)10-14-8-6-5-7-9-14/h5-10,13,15H,4,11H2,1-3H3
InChIKeyUNDDFAMIERGAIF-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.48
Rot. Bonds5

About N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine

N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine (PubChem CID 75598908) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
PubChem CID75598908
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine
SMILESCCC(C)NCC(C)=Cc1ccccc1
InChIInChI=1S/C14H21N/c1-4-13(3)15-11-12(2)10-14-8-6-5-7-9-14/h5-10,13,15H,4,11H2,1-3H3
InChIKeyUNDDFAMIERGAIF-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

N-[(E)-2-methyl-3-phenylprop-2-enyl]pent-4-en-2-amine
CID 115633162
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
CID 115605460
2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
CID 57178227
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
(E)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 66895858
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
3-(4-ethylpiperazin-1-yl)-2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propan-1-amine
CID 119122323
N-[(E)-2-methyl-3-phenylprop-2-enyl]-1-propan-2-ylpiperidin-4-amine
CID 119107841
2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
2-benzylidene-N-propan-2-ylbutan-1-amine
CID 79329110

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine?
The IUPAC name of N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine (CID 75598908) is N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine.
What is the SMILES notation for N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine?
The canonical SMILES for N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine is CCC(C)NCC(C)=Cc1ccccc1.
What is the InChIKey of N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine?
The InChIKey is UNDDFAMIERGAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-13(3)15-11-12(2)10-14-8-6-5-7-9-14/h5-10,13,15H,4,11H2,1-3H3.
What are the key properties of N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine?
N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-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 N-butan-2-yl-2-methyl-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 75598908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).