N-butan-2-yl-3-phenylbut-3-en-1-amine

C14H21N — CID 70499013

IUPACN-butan-2-yl-3-phenylbut-3-en-1-amine
SMILESC=C(CCNC(C)CC)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-13(3)15-11-10-12(2)14-8-6-5-7-9-14/h5-9,13,15H,2,4,10-11H2,1,3H3
InChIKeyAUVSFTBZQBTEQQ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.48
Rot. Bonds6

About N-butan-2-yl-3-phenylbut-3-en-1-amine

N-butan-2-yl-3-phenylbut-3-en-1-amine (PubChem CID 70499013) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-butan-2-yl-3-phenylbut-3-en-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-3-phenylbut-3-en-1-amine
PubChem CID70499013
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-butan-2-yl-3-phenylbut-3-en-1-amine
SMILESC=C(CCNC(C)CC)c1ccccc1
InChIInChI=1S/C14H21N/c1-4-13(3)15-11-10-12(2)14-8-6-5-7-9-14/h5-9,13,15H,2,4,10-11H2,1,3H3
InChIKeyAUVSFTBZQBTEQQ-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
3-(butan-2-ylamino)-1-phenylpropan-1-one
CID 112509787
5-methylhept-1-en-2-ylbenzene
CID 90870775
pent-1-en-2-ylbenzene
CID 521761
3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
5-chlorohept-1-en-2-ylbenzene
CID 66808379
N-benzyl-3-(butan-2-ylamino)-N-ethylpropanamide
CID 109013097
methyl 2-(2-phenylprop-2-enylamino)propanoate
CID 115328198
18-methylnonadec-1-en-2-ylbenzene;12-methyltridec-1-en-2-ylbenzene
CID 173456642
3-(butan-2-ylamino)-1-(4-fluorophenyl)propan-1-one
CID 10376307
3-(butan-2-ylamino)-1-(4-chlorophenyl)propan-1-one
CID 112510179
(2R)-N-[2-(2-phenoxyethoxy)ethyl]butan-2-amine
CID 2299919

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-phenylbut-3-en-1-amine?
The IUPAC name of N-butan-2-yl-3-phenylbut-3-en-1-amine (CID 70499013) is N-butan-2-yl-3-phenylbut-3-en-1-amine.
What is the SMILES notation for N-butan-2-yl-3-phenylbut-3-en-1-amine?
The canonical SMILES for N-butan-2-yl-3-phenylbut-3-en-1-amine is C=C(CCNC(C)CC)c1ccccc1.
What is the InChIKey of N-butan-2-yl-3-phenylbut-3-en-1-amine?
The InChIKey is AUVSFTBZQBTEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-13(3)15-11-10-12(2)14-8-6-5-7-9-14/h5-9,13,15H,2,4,10-11H2,1,3H3.
What are the key properties of N-butan-2-yl-3-phenylbut-3-en-1-amine?
N-butan-2-yl-3-phenylbut-3-en-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-phenylbut-3-en-1-amine is sourced from PubChem (CID 70499013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).