2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine

C16H25N — CID 134189171

IUPAC2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine
SMILESC=C(CCc1ccccc1)NCC(C)CCC
InChIInChI=1S/C16H25N/c1-4-8-14(2)13-17-15(3)11-12-16-9-6-5-7-10-16/h5-7,9-10,14,17H,3-4,8,11-13H2,1-2H3
InChIKeyMSZLKTVSPYKARA-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.16
Rot. Bonds8

About 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine

2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine (PubChem CID 134189171) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine
PubChem CID134189171
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine
SMILESC=C(CCc1ccccc1)NCC(C)CCC
InChIInChI=1S/C16H25N/c1-4-8-14(2)13-17-15(3)11-12-16-9-6-5-7-10-16/h5-7,9-10,14,17H,3-4,8,11-13H2,1-2H3
InChIKeyMSZLKTVSPYKARA-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-methyl-4-phenylbut-1-en-2-amine
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(2S)-N,2-dimethyl-4-phenylbutan-1-amine
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CID 172569226
N-(1-chloro-3-phenylpropan-2-yl)-2-methylpentan-1-amine
CID 65025934
2-benzyl-N-(2-methylpentyl)aniline
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13,13-dimethyl-11-methylidene-N-(4-phenylbut-1-en-2-yl)tetradecan-6-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine (CID 134189171) is 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine is C=C(CCc1ccccc1)NCC(C)CCC.
What is the InChIKey of 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine?
The InChIKey is MSZLKTVSPYKARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-8-14(2)13-17-15(3)11-12-16-9-6-5-7-10-16/h5-7,9-10,14,17H,3-4,8,11-13H2,1-2H3.
What are the key properties of 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine?
2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-phenylbut-1-en-2-yl)pentan-1-amine is sourced from PubChem (CID 134189171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).